MMsINC Database Search


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MMsINC code: MMs01406527

Type: Neutral
Formula: C₁₇H₁₇ClN₂O₂S

SMILES:

Clc1ccccc1SCC(=O)NC(=O)Nc1ccc(cc1C)C

InChI:

InChI=1/C17H17ClN2O2S/c1-11-7-8-14(12(2)9-11)19-17(22)20-16(21)10-23-15-6-4-3-5-13(15)18/h3-9H,10H2,1-2H3,(H2,19,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.0284 kcal/mol

Physical Properties
Molecular Weight: 348.854 g/mol	logS: -5.99992	SlogP: 4.39724	Reactive groups: 0

Topological Properties
Globularity: 0.0105095	Sterimol/B1: 2.74522	Sterimol/B2: 2.87061	Sterimol/B3: 3.96982
Sterimol/B4: 5.74382	Sterimol/L: 19.9162

Surface and Volume Properties
Accessible surface: 611.612	Positive charged surface: 319.064	Negative charged surface: 292.548	Volume: 318
Hydrophobic surface: 496.428	Hydrophilic surface: 115.184

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.