MMsINC Database Search


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MMsINC code: MMs00589947

Type: Neutral
Formula: C₁₁H₈ClNOS

SMILES:

Clc1sc(cc1)C(=O)Nc1ccccc1

InChI:

InChI=1/C11H8ClNOS/c12-10-7-6-9(15-10)11(14)13-8-4-2-1-3-5-8/h1-7H,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.0695 kcal/mol

Physical Properties
Molecular Weight: 237.71 g/mol	logS: -4.20709	SlogP: 3.6538	Reactive groups: 0

Topological Properties
Globularity: 0.0161467	Sterimol/B1: 2.51935	Sterimol/B2: 2.7054	Sterimol/B3: 3.46524
Sterimol/B4: 4.03862	Sterimol/L: 14.7286

Surface and Volume Properties
Accessible surface: 423.835	Positive charged surface: 168.98	Negative charged surface: 254.855	Volume: 203.5
Hydrophobic surface: 383.924	Hydrophilic surface: 39.911

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.