MMsINC Database Search


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MMsINC code: MMs02903259

Type: Neutral
Formula: C₁₆H₁₀Cl₂N₆

SMILES:

Clc1ccc(-n2nnnc2-c2cn(nc2)-c2ccc(Cl)cc2)cc1

InChI:

InChI=1/C16H10Cl2N6/c17-12-1-5-14(6-2-12)23-10-11(9-19-23)16-20-21-22-24(16)15-7-3-13(18)4-8-15/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.004 kcal/mol

Physical Properties
Molecular Weight: 357.204 g/mol	logS: -5.36148	SlogP: 3.8218	Reactive groups: 0

Topological Properties
Globularity: 0.0263938	Sterimol/B1: 2.2576	Sterimol/B2: 3.51044	Sterimol/B3: 4.1549
Sterimol/B4: 7.11565	Sterimol/L: 17.0529

Surface and Volume Properties
Accessible surface: 554.669	Positive charged surface: 182.434	Negative charged surface: 338.844	Volume: 301.5
Hydrophobic surface: 481.58	Hydrophilic surface: 73.089

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.