MMsINC Database Search


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MMsINC code: MMs02613780

Type: Neutral
Formula: C₁₅H₁₀Cl₂N₂

SMILES:

Clc1ccc(cc1)-c1cn(nc1)-c1ccc(Cl)cc1

InChI:

InChI=1/C15H10Cl2N2/c16-13-3-1-11(2-4-13)12-9-18-19(10-12)15-7-5-14(17)6-8-15/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0232 kcal/mol

Physical Properties
Molecular Weight: 289.165 g/mol	logS: -5.43375	SlogP: 4.8461	Reactive groups: 0

Topological Properties
Globularity: 5.719e-07	Sterimol/B1: 2.1	Sterimol/B2: 2.10098	Sterimol/B3: 3.23167
Sterimol/B4: 5.25676	Sterimol/L: 17.6083

Surface and Volume Properties
Accessible surface: 499.339	Positive charged surface: 187.011	Negative charged surface: 312.328	Volume: 259
Hydrophobic surface: 471.34	Hydrophilic surface: 27.999

Pharmacophoric Properties
Hydrogen bond donors: 0	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

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Ions/Tautomers related molecules: no related molecules available.