(5Z)-3-[4-benzoyl-2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-benzylidene-2-phenylimidazol-4-one
Formula:C45H30N4O3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-3-[4-benzoyl-2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-benzylidene-2-phenylimidazol-4-one is not a drug-like molecule.
| MolName | (5Z)-3-[4-benzoyl-2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-benzylidene-2-phenylimidazol-4-one |
| MolecularFormula | C45H30N4O3 |
| Smiles | O=C(c1ccccc1)c(cc1)cc(N(C2=O)C(c3ccccc3)=N/C2=C\c2ccccc2)c1N(C1=O)C(c2ccccc2)=N/C1=C\c1ccccc1 |
| InChI | InChI=1S/C45H30N4O3/c50-41(33-20-10-3-11-21-33)36-26-27-39(48-42(34-22-12-4-13-23-34)46-37(44(48)51)28-31-16-6-1-7-17-31)40(30-36)49-43(35-24-14-5-15-25-35)47-38(45(49)52)29-32-18-8-2-9-19-32/h1-30H |
| InChIK | IRDZNGRLRKBPIS-UHFFFAOYSA-N |
| TotalMolweight | 674.758 |
| Molweight | 674.758 |
| MonoisotopicMass | 674.231791 |
| CLogP | 7.8632 |
| CLogS | -11.016 |
| H Acceptors | 7 |
| TotalSurfaceArea | 514.27 |
| Relative PSA | 0.13464 |
| PolarSurfaceArea | 82.41 |
| Druglikeness | 3.3656 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.34615 |
| Fragments | 1 |
| Non HAtoms | 52 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 8 |
| Small Rings | 8 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 36 |
| Symmetricatoms | 10 |
| Amides | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - (5Z)-3-[4-benzoyl-2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-benzylidene-2-phenylimidazol-4-one | 2 - (5Z)-3-[4-benzoyl-2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-benzylidene-2-phenylimidazol-4-one
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