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NCID-ZINC01714277

 MMsINC code: MMs02340539
Type: Neutral
Formula: C10H19FN2O
SMILES:   FCCNC(=O)NC1CCC(CC1)C
InChI:   InChI=1/C10H19FN2O/c1-8-2-4-9(5-3-8)13-10(14)12-7-6-11/h8-9H,2-7H2,1H3,(H2,12,13,14)/t8-,9-

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Potential Energy
Epot(MMFF94)=-8.7587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.273 g/mol  logS: -1.91438  SlogP: 1.8338  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0526746  Sterimol/B1: 2.88961  Sterimol/B2: 3.19152  Sterimol/B3: 3.26554
  Sterimol/B4: 4.20543  Sterimol/L: 15.1037 
 
 Surface and Volume Properties
  Accessible surface: 436.151  Positive charged surface: 333.812  Negative charged surface: 102.338  Volume: 206.125
  Hydrophobic surface: 314.241  Hydrophilic surface: 121.91
 
 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.