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NCID-ZINC01870726

 MMsINC code: MMs02376263
Type: Neutral
Formula: C11H21FN2O
SMILES:   FCCNC(=O)NC1CCC(CC1)(C)C
InChI:   InChI=1/C11H21FN2O/c1-11(2)5-3-9(4-6-11)14-10(15)13-8-7-12/h9H,3-8H2,1-2H3,(H2,13,14,15)

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Potential Energy
Epot(MMFF94)=8.82221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.3 g/mol  logS: -2.4296  SlogP: 2.2239  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.077913  Sterimol/B1: 2.87948  Sterimol/B2: 3.06653  Sterimol/B3: 4.00862
  Sterimol/B4: 4.08882  Sterimol/L: 15.1171 
 
 Surface and Volume Properties
  Accessible surface: 452.51  Positive charged surface: 335.424  Negative charged surface: 117.086  Volume: 220.75
  Hydrophobic surface: 315.87  Hydrophilic surface: 136.64
 
 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.