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NCID-ZINC01643991

 MMsINC code: MMs02285234
Type: Neutral
Formula: C13H25FN2O
SMILES:   FCCNC(=O)NC1CCC(CC1)C(C)(C)C
InChI:   InChI=1/C13H25FN2O/c1-13(2,3)10-4-6-11(7-5-10)16-12(17)15-9-8-14/h10-11H,4-9H2,1-3H3,(H2,15,16,17)/t10-,11+

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Potential Energy
Epot(MMFF94)=23.3529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.354 g/mol  logS: -3.46004  SlogP: 2.86  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.132312  Sterimol/B1: 2.53354  Sterimol/B2: 3.71916  Sterimol/B3: 4.69161
  Sterimol/B4: 5.02712  Sterimol/L: 14.4436 
 
 Surface and Volume Properties
  Accessible surface: 485.832  Positive charged surface: 348.945  Negative charged surface: 136.887  Volume: 254.125
  Hydrophobic surface: 345.158  Hydrophilic surface: 140.674
 
 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.