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MMsINC code: MMs00632794

Type: Neutral
Formula: C₁₄H₁₂ClNOS

SMILES:

Clc1ccc(NC(=O)c2ccccc2SC)cc1

InChI:

InChI=1/C14H12ClNOS/c1-18-13-5-3-2-4-12(13)14(17)16-11-8-6-10(15)7-9-11/h2-9H,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.5299 kcal/mol

Physical Properties
Molecular Weight: 277.775 g/mol	logS: -5.11056	SlogP: 4.3142	Reactive groups: 0

Topological Properties
Globularity: 0.0205653	Sterimol/B1: 2.35685	Sterimol/B2: 2.56915	Sterimol/B3: 3.0359
Sterimol/B4: 7.65526	Sterimol/L: 14.987

Surface and Volume Properties
Accessible surface: 489.201	Positive charged surface: 227.697	Negative charged surface: 261.503	Volume: 250.875
Hydrophobic surface: 431.033	Hydrophilic surface: 58.168

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.