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NCID-ZINC05004726

 MMsINC code: MMs02426952
Type: Ionized
Formula: C11H19N2O3-
SMILES:   O=C1NC(CCCCC(C(=O)[O-])C)C(N1)C
InChI:   InChI=1/C11H20N2O3/c1-7(10(14)15)5-3-4-6-9-8(2)12-11(16)13-9/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/p-1/t7-,8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=2.01881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.284 g/mol  logS: -1.54089  SlogP: 0.0027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0489682  Sterimol/B1: 2.24683  Sterimol/B2: 2.51259  Sterimol/B3: 3.5817
  Sterimol/B4: 6.05842  Sterimol/L: 15.019 
 
 Surface and Volume Properties
  Accessible surface: 465.764  Positive charged surface: 314.644  Negative charged surface: 151.12  Volume: 228
  Hydrophobic surface: 241.048  Hydrophilic surface: 224.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 3
 
 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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MMs02426951
NCID-ZINC05004726