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MMsINC code: MMs00930162

Type: Neutral
Formula: C₁₅H₁₇ClN₂O₂S₂

SMILES:

Clc1sc(S(=O)(=O)N2CCN(CC2)Cc2ccccc2)cc1

InChI:

InChI=1/C15H17ClN2O2S2/c16-14-6-7-15(21-14)22(19,20)18-10-8-17(9-11-18)12-13-4-2-1-3-5-13/h1-7H,8-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5326 kcal/mol

Physical Properties
Molecular Weight: 356.898 g/mol	logS: -4.12363	SlogP: 3.1744	Reactive groups: 0

Topological Properties
Globularity: 0.139262	Sterimol/B1: 3.58513	Sterimol/B2: 4.03001	Sterimol/B3: 5.32779
Sterimol/B4: 5.65079	Sterimol/L: 15.5147

Surface and Volume Properties
Accessible surface: 560.534	Positive charged surface: 282.547	Negative charged surface: 277.987	Volume: 308.125
Hydrophobic surface: 495.13	Hydrophilic surface: 65.404

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00930163
CHEMDIV-ZINC04164186