(5-hydroxy-4-oxo-2-phenylchromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate
Formula:C31H29NO7
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5-hydroxy-4-oxo-2-phenylchromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate is not a drug-like molecule.
| MolName | (5-hydroxy-4-oxo-2-phenylchromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate |
| MolecularFormula | C31H29NO7 |
| Smiles | Oc1cc(OC(C2CCC(CNC(OCc3ccccc3)=O)CC2)=O)cc(OC(c2ccccc2)=C2)c1C2=O |
| InChI | InChI=1S/C31H29NO7/c33-25-15-24(16-28-29(25)26(34)17-27(39-28)22-9-5-2-6-10-22)38-30(35)23-13-11-20(12-14-23)18-32-31(36)37-19-21-7-3-1-4-8-21/h1-10,15-17,20,23,33H,11-14,18-19H2,(H,32,36) |
| InChIK | JSVVVFVSTMDBEL-UHFFFAOYSA-N |
| TotalMolweight | 527.571 |
| Molweight | 527.571 |
| MonoisotopicMass | 527.194404 |
| CLogP | 5.3322 |
| CLogS | -6.639 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 399.11 |
| Relative PSA | 0.23472 |
| PolarSurfaceArea | 111.16 |
| Druglikeness | -10.308 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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