[(E)-(1-amino-2-thiophen-2-ylethylidene)amino] adamantane-1-carboxylate
Formula:C17H22N2O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-(1-amino-2-thiophen-2-ylethylidene)amino] adamantane-1-carboxylate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-thiophen-2-ylethylidene)amino] adamantane-1-carboxylate |
| MolecularFormula | C17H22N2O2S |
| Smiles | N/C(/Cc1cccs1)=N/OC(C1(CC(C2)C3)CC3CC2C1)=O |
| InChI | InChI=1S/C17H22N2O2S/c18-15(7-14-2-1-3-22-14)19-21-16(20)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,11-13H,4-10H2,(H2,18,19) |
| InChIK | BJZVMTYRGOUGNP-UHFFFAOYSA-N |
| TotalMolweight | 318.44 |
| Molweight | 318.44 |
| MonoisotopicMass | 318.140198 |
| CLogP | 3.3901 |
| CLogS | -4.496 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 232.17 |
| Relative PSA | 0.30228 |
| PolarSurfaceArea | 92.92 |
| Druglikeness | 0.54258 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| StereoCon |
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