(5-hydroxy-4-oxo-2-phenylchromen-7-yl) (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Formula:C32H25NO7
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5-hydroxy-4-oxo-2-phenylchromen-7-yl) (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate is not a drug-like molecule.
| MolName | (5-hydroxy-4-oxo-2-phenylchromen-7-yl) (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate |
| MolecularFormula | C32H25NO7 |
| Smiles | Oc1cc(OC([C@@H](Cc2ccccc2)NC(OCc2ccccc2)=O)=O)cc(OC(c2ccccc2)=C2)c1C2=O |
| InChI | InChI=1S/C32H25NO7/c34-26-17-24(18-29-30(26)27(35)19-28(40-29)23-14-8-3-9-15-23)39-31(36)25(16-21-10-4-1-5-11-21)33-32(37)38-20-22-12-6-2-7-13-22/h1-15,17-19,25,34H,16,20H2,(H,33,37)/t25-/m1/s1 |
| InChIK | HQDHYCCBOCBBIP-RUZDIDTESA-N |
| TotalMolweight | 535.551 |
| Molweight | 535.551 |
| MonoisotopicMass | 535.163104 |
| CLogP | 5.52 |
| CLogS | -6.666 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 404.83 |
| Relative PSA | 0.23141 |
| PolarSurfaceArea | 111.16 |
| Druglikeness | -10.554 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | this enantiomer |
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