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NCID-ZINC01713139

 MMsINC code: MMs02339712
Type: Neutral
Formula: C13H23NO2
SMILES:   O=C(CC1NC(CCC1)CC(=O)CC)CC
InChI:   InChI=1/C13H23NO2/c1-3-12(15)8-10-6-5-7-11(14-10)9-13(16)4-2/h10-11,14H,3-9H2,1-2H3/t10-,11+

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Potential Energy
Epot(MMFF94)=24.7565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.332 g/mol  logS: -0.95643  SlogP: 2.2355  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0917822  Sterimol/B1: 2.13541  Sterimol/B2: 2.84926  Sterimol/B3: 3.14717
  Sterimol/B4: 9.13879  Sterimol/L: 12.0661 
 
 Surface and Volume Properties
  Accessible surface: 479.283  Positive charged surface: 376.556  Negative charged surface: 102.727  Volume: 245.25
  Hydrophobic surface: 395.684  Hydrophilic surface: 83.599
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02339713
NCID-ZINC01713139