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MMsINC code: MMs03036776

Type: Neutral
Formula: C₁₉H₂₃ClN₂S₂

SMILES:

Clc1cccc(NC(=S)N(Cc2sccc2)C2CCCCC2)c1C

InChI:

InChI=1/C19H23ClN2S2/c1-14-17(20)10-5-11-18(14)21-19(23)22(13-16-9-6-12-24-16)15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8,13H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.815 kcal/mol

Physical Properties
Molecular Weight: 378.992 g/mol	logS: -6.71625	SlogP: 6.50802	Reactive groups: 0

Topological Properties
Globularity: 0.201353	Sterimol/B1: 2.1939	Sterimol/B2: 5.1823	Sterimol/B3: 6.48065
Sterimol/B4: 6.6048	Sterimol/L: 14.7401

Surface and Volume Properties
Accessible surface: 593.881	Positive charged surface: 323.937	Negative charged surface: 269.943	Volume: 355.5
Hydrophobic surface: 560.189	Hydrophilic surface: 33.692

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.