MMsINC Database Search


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MMsINC code: MMs01863748

Type: Neutral
Formula: C₂₀H₁₂Cl₂N₂O₂

SMILES:

Clc1cc(Oc2nc(nc3c2cccc3)-c2ccccc2O)ccc1Cl

InChI:

InChI=1/C20H12Cl2N2O2/c21-15-10-9-12(11-16(15)22)26-20-13-5-1-3-7-17(13)23-19(24-20)14-6-2-4-8-18(14)25/h1-11,25H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.987 kcal/mol

Physical Properties
Molecular Weight: 383.234 g/mol	logS: -8.02068	SlogP: 6.1015	Reactive groups: 0

Topological Properties
Globularity: 0.0877661	Sterimol/B1: 3.75587	Sterimol/B2: 4.02668	Sterimol/B3: 6.33779
Sterimol/B4: 6.73878	Sterimol/L: 13.9002

Surface and Volume Properties
Accessible surface: 588.017	Positive charged surface: 260.888	Negative charged surface: 319.138	Volume: 332.5
Hydrophobic surface: 531.987	Hydrophilic surface: 56.03

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 1

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Ions/Tautomers related molecules: no related molecules available.