MMsINC Database Search


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MMsINC code: MMs03801999

Type: Tautomer
Formula: C₂₃H₁₈N₂O₂

SMILES:

OC=1N(N(\C(=C/c2ccccc2)\c2ccccc2)C(=O)C=1)c1ccccc1

InChI:

InChI=1/C23H18N2O2/c26-22-17-23(27)25(24(22)20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)16-18-10-4-1-5-11-18/h1-17,26H/b21-16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=160.388 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -5.74572	SlogP: 4.8479	Reactive groups: 0

Topological Properties
Globularity: 0.450984	Sterimol/B1: 2.40673	Sterimol/B2: 3.57924	Sterimol/B3: 6.46253
Sterimol/B4: 8.3767	Sterimol/L: 14.1232

Surface and Volume Properties
Accessible surface: 576.135	Positive charged surface: 312.978	Negative charged surface: 263.157	Volume: 343.25
Hydrophobic surface: 507.838	Hydrophilic surface: 68.297

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Parent related molecule:

MMs03801997
PUBCHEM-ZINC06568055