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ASINEX-ZINC00166208

 MMsINC code: MMs00083412
Type: Neutral
Formula: C11H12ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2C(O)=O)cc1
InChI:   InChI=1/C11H12ClNO4S/c12-8-3-5-9(6-4-8)18(16,17)13-7-1-2-10(13)11(14)15/h3-6,10H,1-2,7H2,(H,14,15)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=49.6705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.739 g/mol  logS: -2.58095  SlogP: 1.5777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153114  Sterimol/B1: 3.70011  Sterimol/B2: 4.20416  Sterimol/B3: 4.31569
  Sterimol/B4: 4.80847  Sterimol/L: 12.7893 
 
 Surface and Volume Properties
  Accessible surface: 449.271  Positive charged surface: 235.606  Negative charged surface: 213.665  Volume: 232.5
  Hydrophobic surface: 330.848  Hydrophilic surface: 118.423
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00083413
ASINEX-ZINC00166208