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MMsINC code: MMs00700923

Type: Neutral
Formula: C₁₉H₂₁ClN₂O₂S

SMILES:

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

InChI:

InChI=1/C19H21ClN2O2S/c1-3-4-12-24-15-10-8-14(9-11-15)18(23)22-19(25)21-17-7-5-6-16(20)13(17)2/h5-11H,3-4,12H2,1-2H3,(H2,21,22,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.262 kcal/mol

Physical Properties
Molecular Weight: 376.908 g/mol	logS: -6.8077	SlogP: 4.95412	Reactive groups: 0

Topological Properties
Globularity: 0.0180392	Sterimol/B1: 2.87103	Sterimol/B2: 3.43026	Sterimol/B3: 3.52956
Sterimol/B4: 6.30642	Sterimol/L: 21.3067

Surface and Volume Properties
Accessible surface: 663.24	Positive charged surface: 371.018	Negative charged surface: 292.222	Volume: 351.5
Hydrophobic surface: 534.276	Hydrophilic surface: 128.964

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.