MMsINC Database Search


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MMsINC code: MMs00615600

Type: Neutral
Formula: C₁₁H₉Cl₂N

SMILES:

Clc1ccc2c(nc(Cl)cc2C)c1C

InChI:

InChI=1/C11H9Cl2N/c1-6-5-10(13)14-11-7(2)9(12)4-3-8(6)11/h3-5H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.9215 kcal/mol

Physical Properties
Molecular Weight: 226.106 g/mol	logS: -4.38765	SlogP: 4.15844	Reactive groups: 0

Topological Properties
Globularity: 0.0243092	Sterimol/B1: 2.51237	Sterimol/B2: 2.5126	Sterimol/B3: 3.86275
Sterimol/B4: 6.9286	Sterimol/L: 11.1278

Surface and Volume Properties
Accessible surface: 401.511	Positive charged surface: 164.654	Negative charged surface: 231.547	Volume: 200.125
Hydrophobic surface: 381.019	Hydrophilic surface: 20.492

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.