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NCID-ZINC04933748

 MMsINC code: MMs02416731
Type: Neutral
Formula: C10H17FN2O
SMILES:   FCCNC(=O)NC1C2CC(C1)CC2
InChI:   InChI=1/C10H17FN2O/c11-3-4-12-10(14)13-9-6-7-1-2-8(9)5-7/h7-9H,1-6H2,(H2,12,13,14)/t7-,8+,9-/m0/s1

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Potential Energy
Epot(MMFF94)=15.9371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.257 g/mol  logS: -1.49889  SlogP: 1.4437  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.112347  Sterimol/B1: 2.08164  Sterimol/B2: 3.4884  Sterimol/B3: 3.51626
  Sterimol/B4: 4.91938  Sterimol/L: 13.3657 
 
 Surface and Volume Properties
  Accessible surface: 414.479  Positive charged surface: 304.815  Negative charged surface: 109.664  Volume: 196.875
  Hydrophobic surface: 320.624  Hydrophilic surface: 93.855
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.