MMsINC Database Search


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MMsINC code: MMs02309885

Type: Neutral
Formula: C₁₉H₁₂Cl₂N₄

SMILES:

Clc1c(-n2nc(cc2-c2ccccc2)-c2ccccc2)cnnc1Cl

InChI:

InChI=1/C19H12Cl2N4/c20-18-17(12-22-23-19(18)21)25-16(14-9-5-2-6-10-14)11-15(24-25)13-7-3-1-4-8-13/h1-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.721 kcal/mol

Physical Properties
Molecular Weight: 367.239 g/mol	logS: -6.84367	SlogP: 5.3031	Reactive groups: 0

Topological Properties
Globularity: 0.0359593	Sterimol/B1: 3.53257	Sterimol/B2: 3.74668	Sterimol/B3: 5.57551
Sterimol/B4: 7.46449	Sterimol/L: 15.0206

Surface and Volume Properties
Accessible surface: 580.147	Positive charged surface: 231.41	Negative charged surface: 348.737	Volume: 323.5
Hydrophobic surface: 513.57	Hydrophilic surface: 66.577

Pharmacophoric Properties
Hydrogen bond donors: 0	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.