MMsINC Database Search


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MMsINC code: MMs02213000

Type: Neutral
Formula: C₂₀H₁₃NO₂

SMILES:

O=C1N(c2ccccc2-c2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C20H13NO2/c22-19-16-11-4-5-12-17(16)20(23)21(19)18-13-7-6-10-15(18)14-8-2-1-3-9-14/h1-13H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.802 kcal/mol

Physical Properties
Molecular Weight: 299.329 g/mol	logS: -6.18497	SlogP: 4.1542	Reactive groups: 0

Topological Properties
Globularity: 0.161049	Sterimol/B1: 2.49107	Sterimol/B2: 3.7513	Sterimol/B3: 4.31442
Sterimol/B4: 9.04668	Sterimol/L: 13.6624

Surface and Volume Properties
Accessible surface: 514.925	Positive charged surface: 256.082	Negative charged surface: 255.702	Volume: 286.75
Hydrophobic surface: 453.872	Hydrophilic surface: 61.053

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.