| IPAD-DB ID | D01177 |
| Name | Acrylamide |
| Category | Drugs |
| 2D Structure |
|
| 3D Structure | |
| Molecular Formula | C 3 H 5 N O |
| Molecular Weight | 71.08 |
| IUPAC Name | prop-2-enamide |
| InChI | InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5) |
| InChIKey | HRPVXLWXLXDGHG-UHFFFAOYSA-N |
| Canonical SMILES | C=CC(=O)N |
| PubChem CID | 6579 |
| DrugBank Accession Number | - |
| CAS Registry Number | - |
| Molecular Weight(Computed by SwissADME) | 71.08 |
| Hac(Computed by SwissADME) | 5 |
| Volume(Computed by ADMETlab 2.0) | 74.958 |
| Density(Computed by ADMETlab 2.0) | 0.948 |
| nRing(Computed by ADMETlab 2.0) | 0 |
| MaxRing(Computed by ADMETlab 2.0) | 0 |
| nHet(Computed by ADMETlab 2.0) | 2 |
| fChar(Computed by ADMETlab 2.0) | 0 |
| nRig(Computed by ADMETlab 2.0) | 2 |
| Flexibility(Computed by ADMETlab 2.0) | 0.5 |
| Stero Centers(Computed by ADMETlab 2.0) | 0 |
| LogS(Computed by ADMETlab 2.0) | 0.855 |
| LogD(Computed by ADMETlab 2.0) | -0.898 |
| logP(Computed by ADMETlab 2.0) | -0.515 |
| TPSA(Computed by SwissADME) | 43.09 |
| Hbond Acceptor(Computed by SwissADME) | 1 |
| Hbond Donor(Computed by SwissADME) | 1 |
| Rotatable Bonds(Computed by SwissADME) | 1 |
| 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) | -7.21 |
| Lipinski(Computed by SwissADME) | 0 |
| Ghose(Computed by SwissADME) | 3 |
| Veber(Computed by SwissADME) | 0 |
| Egan(Computed by SwissADME) | 0 |
| Muegge(Computed by SwissADME) | 2 |
| Bioavailability Score(Computed by SwissADME) | 0.55 |