(Z)-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one
Formula:C25H20N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one is not a drug-like molecule.
| MolName | (Z)-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one |
| MolecularFormula | C25H20N2O |
| Smiles | O=C(/C=C\c1ccccc1)N(C(C1)c2c[nH]c3c2cccc3)c2c1cccc2 |
| InChI | InChI=1S/C25H20N2O/c28-25(15-14-18-8-2-1-3-9-18)27-23-13-7-4-10-19(23)16-24(27)21-17-26-22-12-6-5-11-20(21)22/h1-15,17,24,26H,16H2/t24-/m0/s1 |
| InChIK | DMQRESCOMHWLMW-DEOSSOPVSA-N |
| TotalMolweight | 364.447 |
| Molweight | 364.447 |
| MonoisotopicMass | 364.157563 |
| CLogP | 5.0787 |
| CLogS | -5.442 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 284.26 |
| Relative PSA | 0.10758 |
| PolarSurfaceArea | 36.1 |
| Druglikeness | 1.4648 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (Z)-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one | 2 - (Z)-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one
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