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ENAMINE-ZINC02627541

 MMsINC code: MMs01259881
Type: Neutral
Formula: C15H17NO2S2
SMILES:   S(C)c1cc(NS(=O)(=O)c2ccc(cc2C)C)ccc1
InChI:   InChI=1/C15H17NO2S2/c1-11-7-8-15(12(2)9-11)20(17,18)16-13-5-4-6-14(10-13)19-3/h4-10,16H,1-3H3

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Potential Energy
Epot(MMFF94)=50.134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.438 g/mol  logS: -4.70251  SlogP: 3.82614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.242739  Sterimol/B1: 2.23686  Sterimol/B2: 4.06861  Sterimol/B3: 4.52265
  Sterimol/B4: 8.15306  Sterimol/L: 13.0079 
 
 Surface and Volume Properties
  Accessible surface: 515.748  Positive charged surface: 270.035  Negative charged surface: 245.713  Volume: 282.125
  Hydrophobic surface: 402.412  Hydrophilic surface: 113.336
 
 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.