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NCID-ZINC01716558

 MMsINC code: MMs02342157
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+

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Potential Energy
Epot(MMFF94)=34.8232 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: 0.046599  Sterimol/B1: 2.56059  Sterimol/B2: 3.63581  Sterimol/B3: 4.24662
  Sterimol/B4: 4.49228  Sterimol/L: 17.1867 
 
 Surface and Volume Properties
  Accessible surface: 502.83  Positive charged surface: 391.515  Negative charged surface: 111.315  Volume: 259.5
  Hydrophobic surface: 415.684  Hydrophilic surface: 87.146
 
 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


MMs02342158
NCID-ZINC01716558