MMsINC Database Search


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MMsINC code: MMs02630010

Type: Neutral
Formula: C₂₀H₁₂N₂O₂

SMILES:

o1c2c(nc1-c1ccccc1)cc1nc(oc1c2)-c1ccccc1

InChI:

InChI=1/C20H12N2O2/c1-3-7-13(8-4-1)19-21-15-11-16-18(12-17(15)23-19)24-20(22-16)14-9-5-2-6-10-14/h1-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0129 kcal/mol

Physical Properties
Molecular Weight: 312.328 g/mol	logS: -8.01622	SlogP: 5.303	Reactive groups: 0

Topological Properties
Globularity: 1.79824e-07	Sterimol/B1: 2.09992	Sterimol/B2: 2.09996	Sterimol/B3: 3.93218
Sterimol/B4: 4.00035	Sterimol/L: 20.1468

Surface and Volume Properties
Accessible surface: 567.528	Positive charged surface: 306.09	Negative charged surface: 261.438	Volume: 296.375
Hydrophobic surface: 490.457	Hydrophilic surface: 77.071

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.