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MMsINC code: MMs02960762

Type: Neutral
Formula: C₁₆H₂₁ClN₂O₂S₂

SMILES:

Clc1sc(S(=O)(=O)NCCCN(CC)c2cc(ccc2)C)cc1

InChI:

InChI=1/C16H21ClN2O2S2/c1-3-19(14-7-4-6-13(2)12-14)11-5-10-18-23(20,21)16-9-8-15(17)22-16/h4,6-9,12,18H,3,5,10-11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.359 kcal/mol

Physical Properties
Molecular Weight: 372.941 g/mol	logS: -4.95807	SlogP: 3.90482	Reactive groups: 0

Topological Properties
Globularity: 0.0586587	Sterimol/B1: 2.42543	Sterimol/B2: 3.90332	Sterimol/B3: 3.95801
Sterimol/B4: 7.76919	Sterimol/L: 18.163

Surface and Volume Properties
Accessible surface: 624.899	Positive charged surface: 316.682	Negative charged surface: 308.217	Volume: 336.375
Hydrophobic surface: 505.39	Hydrophilic surface: 119.509

Pharmacophoric Properties
Hydrogen bond donors: 1	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.