MMsINC Database Search


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MMsINC code: MMs02632181

Type: Neutral
Formula: C₁₅H₉Cl₂N₅

SMILES:

Clc1cc(Cl)cc2c1[nH]cc2-c1nnnn1-c1ccccc1

InChI:

InChI=1/C15H9Cl2N5/c16-9-6-11-12(8-18-14(11)13(17)7-9)15-19-20-21-22(15)10-4-2-1-3-5-10/h1-8,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.6758 kcal/mol

Physical Properties
Molecular Weight: 330.178 g/mol	logS: -5.49747	SlogP: 4.1174	Reactive groups: 0

Topological Properties
Globularity: 0.0943416	Sterimol/B1: 3.03511	Sterimol/B2: 3.45377	Sterimol/B3: 4.25556
Sterimol/B4: 7.13774	Sterimol/L: 14.2287

Surface and Volume Properties
Accessible surface: 510.256	Positive charged surface: 171.277	Negative charged surface: 301.547	Volume: 276.25
Hydrophobic surface: 437.493	Hydrophilic surface: 72.763

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.