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OTAVA-ZINC04866877

 MMsINC code: MMs02586284
Type: Neutral
Formula: C10H14INO2S
SMILES:   Ic1ccc(S(=O)(=O)NCCCC)cc1
InChI:   InChI=1/C10H14INO2S/c1-2-3-8-12-15(13,14)10-6-4-9(11)5-7-10/h4-7,12H,2-3,8H2,1H3

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Potential Energy
Epot(MMFF94)=1.00889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.197 g/mol  logS: -3.25858  SlogP: 2.3696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102864  Sterimol/B1: 2.97833  Sterimol/B2: 4.30717  Sterimol/B3: 4.47973
  Sterimol/B4: 5.72333  Sterimol/L: 14.5305 
 
 Surface and Volume Properties
  Accessible surface: 476.115  Positive charged surface: 227.105  Negative charged surface: 249.01  Volume: 235.25
  Hydrophobic surface: 371.406  Hydrophilic surface: 104.709
 
 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.