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MMsINC code: MMs01110891

Type: Tautomer
Formula: C₁₄H₁₂Cl₂N₂

SMILES:

Clc1ccccc1N\C(=N\C)\c1ccc(Cl)cc1

InChI:

InChI=1/C14H12Cl2N2/c1-17-14(10-6-8-11(15)9-7-10)18-13-5-3-2-4-12(13)16/h2-9H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.8802 kcal/mol

Physical Properties
Molecular Weight: 279.17 g/mol	logS: -4.91822	SlogP: 4.4819	Reactive groups: 0

Topological Properties
Globularity: 0.0692403	Sterimol/B1: 2.44649	Sterimol/B2: 3.12518	Sterimol/B3: 3.45199
Sterimol/B4: 7.38732	Sterimol/L: 15.411

Surface and Volume Properties
Accessible surface: 492.11	Positive charged surface: 234.735	Negative charged surface: 257.375	Volume: 256
Hydrophobic surface: 476.867	Hydrophilic surface: 15.243

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

search links for this molecule:

Parent related molecule:

MMs01110890
CHEMSTAR-ZINC04181916