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CHEMBRIDGE-ZINC02565426

 MMsINC code: MMs00712310
Type: Ionized
Formula: C14H25N2O3-
SMILES:   O=C1NC(CCCCCC(=O)[O-])C(N1)CCCCC
InChI:   InChI=1/C14H26N2O3/c1-2-3-5-8-11-12(16-14(19)15-11)9-6-4-7-10-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)(H2,15,16,19)/p-1/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=-7.44503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.365 g/mol  logS: -3.08655  SlogP: 1.3171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0382908  Sterimol/B1: 2.50447  Sterimol/B2: 2.9128  Sterimol/B3: 3.26739
  Sterimol/B4: 7.62403  Sterimol/L: 19.6484 
 
 Surface and Volume Properties
  Accessible surface: 574.471  Positive charged surface: 412.395  Negative charged surface: 162.076  Volume: 279.625
  Hydrophobic surface: 357.256  Hydrophilic surface: 217.215
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs00712309
CHEMBRIDGE-ZINC02565426