3-hydroxy-3-(1H-indol-3-yl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one
Formula:C25H20N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-3-(1H-indol-3-yl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one is a drug-like molecule.
| MolName | 3-hydroxy-3-(1H-indol-3-yl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one |
| MolecularFormula | C25H20N2O2 |
| Smiles | OC(c1c[nH]c2c1cccc2)(c(cccc1)c1N1C/C=C/c2ccccc2)C1=O |
| InChI | InChI=1S/C25H20N2O2/c28-24-25(29,21-17-26-22-14-6-4-12-19(21)22)20-13-5-7-15-23(20)27(24)16-8-11-18-9-2-1-3-10-18/h1-15,17,26,29H,16H2/t25-/m1/s1 |
| InChIK | POIDEAFQZIDDCB-RUZDIDTESA-N |
| TotalMolweight | 380.446 |
| Molweight | 380.446 |
| MonoisotopicMass | 380.152478 |
| CLogP | 3.8899 |
| CLogS | -5.089 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 288.52 |
| Relative PSA | 0.15139 |
| PolarSurfaceArea | 56.33 |
| Druglikeness | 4.6791 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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