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MMsINC code: MMs01364259

Type: Ionized
Formula: C₁₁H₁₂Cl₂NO₄S₂-

SMILES:

Clc1cc(S(=O)(=O)NC(CCSC)C(=O)[O-])ccc1Cl

InChI:

InChI=1/C11H13Cl2NO4S2/c1-19-5-4-10(11(15)16)14-20(17,18)7-2-3-8(12)9(13)6-7/h2-3,6,10,14H,4-5H2,1H3,(H,15,16)/p-1/t10-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.5094 kcal/mol

Physical Properties
Molecular Weight: 357.258 g/mol	logS: -4.14138	SlogP: 1.1433	Reactive groups: 0

Topological Properties
Globularity: 0.231488	Sterimol/B1: 2.52256	Sterimol/B2: 3.38017	Sterimol/B3: 5.28325
Sterimol/B4: 8.0111	Sterimol/L: 12.9909

Surface and Volume Properties
Accessible surface: 495.859	Positive charged surface: 166.188	Negative charged surface: 329.671	Volume: 278.375
Hydrophobic surface: 302.802	Hydrophilic surface: 193.057

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

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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Parent related molecule:

MMs01364258
ENAMINE-ZINC03311600