MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02151140

Type: Neutral
Formula: C₁₉H₁₅Cl₂NO₂S₂

SMILES:

Clc1ccc(cc1)C1N(S(=O)(=O)c2ccc(Cl)cc2)CCc2sccc12

InChI:

InChI=1/C19H15Cl2NO2S2/c20-14-3-1-13(2-4-14)19-17-10-12-25-18(17)9-11-22(19)26(23,24)16-7-5-15(21)6-8-16/h1-8,10,12,19H,9,11H2/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.7615 kcal/mol

Physical Properties
Molecular Weight: 424.372 g/mol	logS: -6.29336	SlogP: 5.48677	Reactive groups: 0

Topological Properties
Globularity: 0.230139	Sterimol/B1: 3.45374	Sterimol/B2: 4.78609	Sterimol/B3: 5.23855
Sterimol/B4: 7.31455	Sterimol/L: 15.4258

Surface and Volume Properties
Accessible surface: 591.571	Positive charged surface: 228.429	Negative charged surface: 363.142	Volume: 351.625
Hydrophobic surface: 538.621	Hydrophilic surface: 52.95

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.