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PUBCHEM-ZINC03606174

 MMsINC code: MMs03020290
Type: Neutral
Formula: C11H20F2N2O2
SMILES:   FC(F)(C(O)C(N)CC1CCCCC1)C(=O)N
InChI:   InChI=1/C11H20F2N2O2/c12-11(13,10(15)17)9(16)8(14)6-7-4-2-1-3-5-7/h7-9,16H,1-6,14H2,(H2,15,17)/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=72.0421 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.289 g/mol  logS: -3.0643  SlogP: 1.1855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0790081  Sterimol/B1: 2.71872  Sterimol/B2: 3.40832  Sterimol/B3: 3.95507
  Sterimol/B4: 4.43192  Sterimol/L: 14.6375 
 
 Surface and Volume Properties
  Accessible surface: 447.279  Positive charged surface: 305.615  Negative charged surface: 141.664  Volume: 229.75
  Hydrophobic surface: 239.31  Hydrophilic surface: 207.969
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03020291
PUBCHEM-ZINC03606174