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MMsINC code: MMs03941926

Type: Neutral
Formula: C₁₉H₂₁ClN₂O₂S

SMILES:

Clc1ccc(cc1NC(=O)Cc1sccc1)C(=O)NC1CCCCC1

InChI:

InChI=1/C19H21ClN2O2S/c20-16-9-8-13(19(24)21-14-5-2-1-3-6-14)11-17(16)22-18(23)12-15-7-4-10-25-15/h4,7-11,14H,1-3,5-6,12H2,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.4024 kcal/mol

Physical Properties
Molecular Weight: 376.908 g/mol	logS: -5.57457	SlogP: 4.64517	Reactive groups: 0

Topological Properties
Globularity: 0.0509994	Sterimol/B1: 2.64094	Sterimol/B2: 3.28336	Sterimol/B3: 4.78939
Sterimol/B4: 9.49987	Sterimol/L: 17.0197

Surface and Volume Properties
Accessible surface: 639.746	Positive charged surface: 365.69	Negative charged surface: 274.056	Volume: 347.625
Hydrophobic surface: 574.386	Hydrophilic surface: 65.36

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.