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ENAMINE-ZINC03198547

 MMsINC code: MMs01303562
Type: Neutral
Formula: C9H15F4NO4S
SMILES:   S(OCC(F)(F)C(F)F)(=O)(=O)CCN1CCOCC1
InChI:   InChI=1/C9H15F4NO4S/c10-8(11)9(12,13)7-18-19(15,16)6-3-14-1-4-17-5-2-14/h8H,1-7H2

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Potential Energy
Epot(MMFF94)=60.6941 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.28 g/mol  logS: -1.37709  SlogP: 1.4052  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0791267  Sterimol/B1: 3.02251  Sterimol/B2: 3.46469  Sterimol/B3: 3.87297
  Sterimol/B4: 5.04075  Sterimol/L: 14.1028 
 
 Surface and Volume Properties
  Accessible surface: 474.914  Positive charged surface: 264.356  Negative charged surface: 210.558  Volume: 231
  Hydrophobic surface: 252.271  Hydrophilic surface: 222.643
 
 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


MMs01303563
ENAMINE-ZINC03198547