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MMsINC code: MMs00621646

Type: Neutral
Formula: C₁₇H₁₇ClN₂O₂S

SMILES:

Clc1cccc(NC(=S)NC(=O)c2ccc(OCC)cc2)c1C

InChI:

InChI=1/C17H17ClN2O2S/c1-3-22-13-9-7-12(8-10-13)16(21)20-17(23)19-15-6-4-5-14(18)11(15)2/h4-10H,3H2,1-2H3,(H2,19,20,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.356 kcal/mol

Physical Properties
Molecular Weight: 348.854 g/mol	logS: -6.09071	SlogP: 4.17392	Reactive groups: 0

Topological Properties
Globularity: 0.021074	Sterimol/B1: 2.68104	Sterimol/B2: 3.36135	Sterimol/B3: 3.55268
Sterimol/B4: 5.47259	Sterimol/L: 19.3109

Surface and Volume Properties
Accessible surface: 593.535	Positive charged surface: 313.376	Negative charged surface: 280.159	Volume: 317.25
Hydrophobic surface: 465.403	Hydrophilic surface: 128.132

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.