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NCID-ZINC01716560

 MMsINC code: MMs02342161
Type: Neutral
Formula: C14H25NO2
SMILES:   O=C(CC1N(C)C(CCC1)CC(=O)CC)CC
InChI:   InChI=1/C14H25NO2/c1-4-13(16)9-11-7-6-8-12(15(11)3)10-14(17)5-2/h11-12H,4-10H2,1-3H3/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=39.96 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.359 g/mol  logS: -1.08738  SlogP: 2.5777  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.151488  Sterimol/B1: 2.51302  Sterimol/B2: 2.97454  Sterimol/B3: 5.21231
  Sterimol/B4: 5.71179  Sterimol/L: 15.4495 
 
 Surface and Volume Properties
  Accessible surface: 496.239  Positive charged surface: 382.766  Negative charged surface: 113.473  Volume: 259.875
  Hydrophobic surface: 411.764  Hydrophilic surface: 84.475
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02342162
NCID-ZINC01716560