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MMsINC code: MMs01521978

Type: Neutral
Formula: C₁₅H₁₄ClNOS

SMILES:

Clc1cc(ccc1NC(=O)CSc1ccccc1)C

InChI:

InChI=1/C15H14ClNOS/c1-11-7-8-14(13(16)9-11)17-15(18)10-19-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.8971 kcal/mol

Physical Properties
Molecular Weight: 291.802 g/mol	logS: -5.61092	SlogP: 4.37922	Reactive groups: 0

Topological Properties
Globularity: 0.00925838	Sterimol/B1: 2.47783	Sterimol/B2: 2.71479	Sterimol/B3: 3.40943
Sterimol/B4: 5.69917	Sterimol/L: 17.6464

Surface and Volume Properties
Accessible surface: 530.056	Positive charged surface: 258.92	Negative charged surface: 271.136	Volume: 269.125
Hydrophobic surface: 460.782	Hydrophilic surface: 69.274

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.