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ENAMINE-ZINC04207043

 MMsINC code: MMs01534664
Type: Neutral
Formula: C10H12F2N2O2S
SMILES:   S(=O)(=O)(N1CCNCC1)c1cc(F)ccc1F
InChI:   InChI=1/C10H12F2N2O2S/c11-8-1-2-9(12)10(7-8)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2

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Potential Energy
Epot(MMFF94)=31.3294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.28 g/mol  logS: -1.80418  SlogP: 0.5587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116249  Sterimol/B1: 2.4374  Sterimol/B2: 3.52223  Sterimol/B3: 3.97659
  Sterimol/B4: 4.85643  Sterimol/L: 12.1653 
 
 Surface and Volume Properties
  Accessible surface: 416.852  Positive charged surface: 252.234  Negative charged surface: 164.618  Volume: 211.375
  Hydrophobic surface: 335.468  Hydrophilic surface: 81.384
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs01534665
ENAMINE-ZINC04207043