MMsINC Database Search


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MMsINC code: MMs00814262

Type: Neutral
Formula: C₂₃H₁₈N₂O

SMILES:

Oc1ccc(cc1)C(c1c2c([nH]c1)cccc2)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C23H18N2O/c26-16-11-9-15(10-12-16)23(19-13-24-21-7-3-1-5-17(19)21)20-14-25-22-8-4-2-6-18(20)22/h1-14,23-26H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.032 kcal/mol

Physical Properties
Molecular Weight: 338.41 g/mol	logS: -5.04812	SlogP: 5.535	Reactive groups: 0

Topological Properties
Globularity: 0.317816	Sterimol/B1: 2.40895	Sterimol/B2: 2.90094	Sterimol/B3: 5.60259
Sterimol/B4: 10.516	Sterimol/L: 13.7102

Surface and Volume Properties
Accessible surface: 588.709	Positive charged surface: 315.718	Negative charged surface: 263.099	Volume: 335.5
Hydrophobic surface: 459.602	Hydrophilic surface: 129.107

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.