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ENAMINE-ZINC03216802

 MMsINC code: MMs01310608
Type: Neutral
Formula: C11H20F4N2O3S
SMILES:   S(OCC(F)(F)C(F)F)(=O)(=O)CCN1CCN(CC1)CC
InChI:   InChI=1/C11H20F4N2O3S/c1-2-16-3-5-17(6-4-16)7-8-21(18,19)20-9-11(14,15)10(12)13/h10H,2-9H2,1H3

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Potential Energy
Epot(MMFF94)=71.9116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.35 g/mol  logS: -1.45955  SlogP: 1.7105  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0614592  Sterimol/B1: 2.8704  Sterimol/B2: 3.68246  Sterimol/B3: 3.85654
  Sterimol/B4: 6.0376  Sterimol/L: 15.8863 
 
 Surface and Volume Properties
  Accessible surface: 533.431  Positive charged surface: 316.372  Negative charged surface: 217.059  Volume: 269.25
  Hydrophobic surface: 304.583  Hydrophilic surface: 228.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs01310610
ENAMINE-ZINC03216802


MMs01310609
ENAMINE-ZINC03216802