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PUBCHEM-ZINC06385485

 MMsINC code: MMs03699733
Type: Neutral
Formula: C7H8ClNO2S
SMILES:   Clc1ccc(S(=O)NOC)cc1
InChI:   InChI=1/C7H8ClNO2S/c1-11-9-12(10)7-4-2-6(8)3-5-7/h2-5,9H,1H3/t12-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.4531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.665 g/mol  logS: -2.64383  SlogP: 1.5136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0906831  Sterimol/B1: 2.75882  Sterimol/B2: 3.47545  Sterimol/B3: 3.88883
  Sterimol/B4: 4.24955  Sterimol/L: 13.4134 
 
 Surface and Volume Properties
  Accessible surface: 390.448  Positive charged surface: 214.455  Negative charged surface: 175.993  Volume: 170
  Hydrophobic surface: 322.225  Hydrophilic surface: 68.223
 
 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.