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NCID-ZINC01716451

 MMsINC code: MMs02342058
Type: Neutral
Formula: C11H21FN2O
SMILES:   FCCNC(=O)NC1CCC(CC1)CC
InChI:   InChI=1/C11H21FN2O/c1-2-9-3-5-10(6-4-9)14-11(15)13-8-7-12/h9-10H,2-8H2,1H3,(H2,13,14,15)/t9-,10+

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Potential Energy
Epot(MMFF94)=-3.25497 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: 0.118916  Sterimol/B1: 2.38018  Sterimol/B2: 3.27737  Sterimol/B3: 3.98914
  Sterimol/B4: 6.01054  Sterimol/L: 14.2802 
 
 Surface and Volume Properties
  Accessible surface: 454.253  Positive charged surface: 339.685  Negative charged surface: 114.567  Volume: 222.125
  Hydrophobic surface: 340.458  Hydrophilic surface: 113.795
 
 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.