MMsINC Database Search


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MMsINC code: MMs00024591

Type: Neutral
Formula: C₂₃H₁₈N₂O

SMILES:

O=Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H18N2O/c26-17-22-16-25(18-24-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.786 kcal/mol

Physical Properties
Molecular Weight: 338.41 g/mol	logS: -5.34584	SlogP: 4.8473	Reactive groups: 1

Topological Properties
Globularity: 0.704542	Sterimol/B1: 3.44128	Sterimol/B2: 5.2038	Sterimol/B3: 6.12438
Sterimol/B4: 7.24646	Sterimol/L: 12.8138

Surface and Volume Properties
Accessible surface: 562.929	Positive charged surface: 321.329	Negative charged surface: 241.6	Volume: 337.25
Hydrophobic surface: 474.288	Hydrophilic surface: 88.641

Pharmacophoric Properties
Hydrogen bond donors: 0	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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Ions/Tautomers related molecules: no related molecules available.