MMsINC Database Search


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MMsINC code: MMs02319003

Type: Neutral
Formula: C₁₃H₁₀Cl₂N₂

SMILES:

Clc1ccc(N\C=N\c2ccc(Cl)cc2)cc1

InChI:

InChI=1/C13H10Cl2N2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-9H,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.141 kcal/mol

Physical Properties
Molecular Weight: 265.143 g/mol	logS: -4.87046	SlogP: 4.7653	Reactive groups: 0

Topological Properties
Globularity: 0.07713	Sterimol/B1: 2.27102	Sterimol/B2: 3.23667	Sterimol/B3: 3.99754
Sterimol/B4: 5.33815	Sterimol/L: 15.5257

Surface and Volume Properties
Accessible surface: 480.963	Positive charged surface: 215.262	Negative charged surface: 265.701	Volume: 236.125
Hydrophobic surface: 439.971	Hydrophilic surface: 40.992

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

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Ions/Tautomers related molecules: no related molecules available.