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MMsINC code: MMs01632241

Type: Neutral
Formula: C₁₃H₁₂ClNOS

SMILES:

Clc1cc(ccc1)CNC(=O)Cc1ccsc1

InChI:

InChI=1/C13H12ClNOS/c14-12-3-1-2-10(6-12)8-15-13(16)7-11-4-5-17-9-11/h1-6,9H,7-8H2,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.8777 kcal/mol

Physical Properties
Molecular Weight: 265.764 g/mol	logS: -3.74842	SlogP: 3.52677	Reactive groups: 0

Topological Properties
Globularity: 0.0470616	Sterimol/B1: 2.42999	Sterimol/B2: 2.82795	Sterimol/B3: 3.47944
Sterimol/B4: 5.91209	Sterimol/L: 15.5597

Surface and Volume Properties
Accessible surface: 494.487	Positive charged surface: 229.248	Negative charged surface: 265.239	Volume: 245
Hydrophobic surface: 447.099	Hydrophilic surface: 47.388

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.