| IPAD-DB ID | C00940 |
| Name | Tramiprosate |
| Category | Natural compounds |
| 2D Structure |
|
| 3D Structure | |
| Molecular Formula | C 3 H 9 N O 3 S |
| Molecular Weight | 139.18g/mol |
| IUPAC Name | 3-aminopropane-1-sulfonic acid |
| InChI | InChI=1S/C3H9NO3S/c4-2-1-3-8(5, 6)7/h1-4H2, (H, 5, 6, 7) |
| InChIKey | SNKZJIOFVMKAOJ-UHFFFAOYSA-N |
| Canonical SMILES | C(CN)CS(=O)(=O)O |
| PubChem CID | 1646 |
| DrugBank Accession Number | - |
| CAS Registry Number | 3687-18-1 |
| Molecular Weight(Computed by SwissADME) | 139.17 |
| Hac(Computed by SwissADME) | 8 |
| Volume(Computed by ADMETlab 2.0) | 116.321 |
| Density(Computed by ADMETlab 2.0) | 1.195 |
| nRing(Computed by ADMETlab 2.0) | 0 |
| MaxRing(Computed by ADMETlab 2.0) | 0 |
| nHet(Computed by ADMETlab 2.0) | 5 |
| fChar(Computed by ADMETlab 2.0) | 0 |
| nRig(Computed by ADMETlab 2.0) | 2 |
| Flexibility(Computed by ADMETlab 2.0) | 1.5 |
| Stero Centers(Computed by ADMETlab 2.0) | 0 |
| LogS(Computed by ADMETlab 2.0) | -0.14 |
| LogD(Computed by ADMETlab 2.0) | -2.386 |
| logP(Computed by ADMETlab 2.0) | -2.745 |
| TPSA(Computed by SwissADME) | 88.77 |
| Hbond Acceptor(Computed by SwissADME) | 4 |
| Hbond Donor(Computed by SwissADME) | 2 |
| Rotatable Bonds(Computed by SwissADME) | 3 |
| GI Absorption(Computed by SwissADME) | High |
| BBB(blood-brain barrier) Permeant(Computed by SwissADME) | No |
| P-gp Substrate(Computed by SwissADME) | No |
| CYP1A2 Inhibitor(Computed by SwissADME) | No |
| CYP2C19 Inhibitor(Computed by SwissADME) | No |
| CYP2C9 Inhibitor(Computed by SwissADME) | No |
| CYP2D6 Inhibitor(Computed by SwissADME) | No |
| CYP3A4 Inhibitor(Computed by SwissADME) | No |
| log Kp(Skin Permeation)(Computed by SwissADME) | -9.81 |
| Lipinski(Computed by SwissADME) | 0 |
| Ghose(Computed by SwissADME) | 3 |
| Veber(Computed by SwissADME) | 0 |
| Egan(Computed by SwissADME) | 0 |
| Muegge(Computed by SwissADME) | 3 |
| Bioavailability Score(Computed by SwissADME) | 0.55 |