MMsINC Database Search


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MMsINC code: MMs02321729

Type: Neutral
Formula: C₈H₃Cl₃N₂

SMILES:

Clc1cc2nc(Cl)nc(Cl)c2cc1

InChI:

InChI=1/C8H3Cl3N2/c9-4-1-2-5-6(3-4)12-8(11)13-7(5)10/h1-3H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.3845 kcal/mol

Physical Properties
Molecular Weight: 233.485 g/mol	logS: -5.25029	SlogP: 3.59	Reactive groups: 1

Topological Properties
Globularity: 2.00345e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09867	Sterimol/B3: 4.38979
Sterimol/B4: 4.68175	Sterimol/L: 11.787

Surface and Volume Properties
Accessible surface: 372.717	Positive charged surface: 83.5613	Negative charged surface: 283.621	Volume: 176.75
Hydrophobic surface: 320.716	Hydrophilic surface: 52.001

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.