MMsINC Database Search


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MMsINC code: MMs02222806

Type: Neutral
Formula: C₈H₆ClNS

SMILES:

Clc1c2c(scc2C)ncc1

InChI:

InChI=1/C8H6ClNS/c1-5-4-11-8-7(5)6(9)2-3-10-8/h2-4H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.1427 kcal/mol

Physical Properties
Molecular Weight: 183.662 g/mol	logS: -3.28643	SlogP: 3.25812	Reactive groups: 0

Topological Properties
Globularity: 0.019669	Sterimol/B1: 2.18955	Sterimol/B2: 2.51204	Sterimol/B3: 3.69722
Sterimol/B4: 5.7893	Sterimol/L: 10.0543

Surface and Volume Properties
Accessible surface: 334.805	Positive charged surface: 148.398	Negative charged surface: 181.668	Volume: 155
Hydrophobic surface: 309.781	Hydrophilic surface: 25.024

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.