MMsINC Database Search


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MMsINC code: MMs02636838

Type: Neutral
Formula: C₁₁H₉Cl₂N

SMILES:

Clc1c2c(nc(Cl)cc2C)c(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3686 kcal/mol

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

Topological Properties
Globularity: 0.0248227	Sterimol/B1: 2.47105	Sterimol/B2: 2.51367	Sterimol/B3: 5.30251
Sterimol/B4: 5.68769	Sterimol/L: 10.8122

Surface and Volume Properties
Accessible surface: 403.474	Positive charged surface: 169.784	Negative charged surface: 227.708	Volume: 198.625
Hydrophobic surface: 380.37	Hydrophilic surface: 23.104

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.