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NCID-ZINC01654234

 MMsINC code: MMs02293047
Type: Neutral
Formula: C9H17FN2O
SMILES:   FCCNC(=O)NC1CCCCC1
InChI:   InChI=1/C9H17FN2O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,12,13)

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Potential Energy
Epot(MMFF94)=-13.2158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.246 g/mol  logS: -1.39916  SlogP: 1.5878  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0618778  Sterimol/B1: 2.8188  Sterimol/B2: 3.32343  Sterimol/B3: 3.52886
  Sterimol/B4: 3.94957  Sterimol/L: 14.0543 
 
 Surface and Volume Properties
  Accessible surface: 412.17  Positive charged surface: 313.926  Negative charged surface: 98.2439  Volume: 187.875
  Hydrophobic surface: 309.739  Hydrophilic surface: 102.431
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: no related molecules available.