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OTAVA-ZINC02841972

 MMsINC code: MMs02580146
Type: Neutral
Formula: C11H11NO2S
SMILES:   S(=O)(=O)(NC)c1c2c(ccc1)cccc2
InChI:   InChI=1/C11H11NO2S/c1-12-15(13,14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.9982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.28 g/mol  logS: -3.10074  SlogP: 1.7479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16017  Sterimol/B1: 2.13277  Sterimol/B2: 4.2906  Sterimol/B3: 5.37991
  Sterimol/B4: 5.69881  Sterimol/L: 10.557 
 
 Surface and Volume Properties
  Accessible surface: 393.312  Positive charged surface: 221.217  Negative charged surface: 164.415  Volume: 198.75
  Hydrophobic surface: 312.625  Hydrophilic surface: 80.687
 
 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.