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PUBCHEM-ZINC06412416

 MMsINC code: MMs03715596
Type: Neutral
Formula: C7H10F7N
SMILES:   FC(F)(C(F)(F)C(F)(F)F)CC(N)CC
InChI:   InChI=1/C7H10F7N/c1-2-4(15)3-5(8,9)6(10,11)7(12,13)14/h4H,2-3,15H2,1H3/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=29.4654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.15 g/mol  logS: -2.50232  SlogP: 4.2064  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103407  Sterimol/B1: 2.77834  Sterimol/B2: 3.35741  Sterimol/B3: 3.52168
  Sterimol/B4: 3.54542  Sterimol/L: 12.4972 
 
 Surface and Volume Properties
  Accessible surface: 371.913  Positive charged surface: 154.151  Negative charged surface: 217.762  Volume: 166.625
  Hydrophobic surface: 125.638  Hydrophilic surface: 246.275
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03715597
PUBCHEM-ZINC06412416