N-[(2S)-1-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-chlorobenzamide
Formula:C33H25N4O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(2S)-1-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-chlorobenzamide is not a drug-like molecule.
| MolName | N-[(2S)-1-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-chlorobenzamide |
| MolecularFormula | C33H25N4O2Cl |
| Smiles | O=C([C@H](Cc1c[nH]c2c1cccc2)NC(c(cc1)ccc1Cl)=O)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C33H25ClN4O2/c34-25-15-13-21(14-16-25)32(39)37-31(18-24-19-35-30-12-6-5-11-28(24)30)33(40)38-36-20-29-26-9-3-1-7-22(26)17-23-8-2-4-10-27(23)29/h1-17,19-20,31,35H,18H2,(H,37,39)(H,38,40)/t31-/m0/s1 |
| InChIK | KPPTYDHQPHABOQ-HKBQPEDESA-N |
| TotalMolweight | 545.041 |
| Molweight | 545.041 |
| MonoisotopicMass | 544.166603 |
| CLogP | 7.1207 |
| CLogS | -9.474 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 411.01 |
| Relative PSA | 0.18126 |
| PolarSurfaceArea | 86.35 |
| Druglikeness | 7.2605 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.425 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(2S)-1-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-chlorobenzamide | 2 - N-[(2S)-1-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-chlorobenzamide
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