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PUBCHEM-ZINC05954726

 MMsINC code: MMs03458644
Type: Ionized
Formula: C11H19N2O3-
SMILES:   O=C([O-])C(NC(=O)NC1CCCCC1C)C
InChI:   InChI=1/C11H20N2O3/c1-7-5-3-4-6-9(7)13-11(16)12-8(2)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/p-1/t7-,8+,9+/m0/s1

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Potential Energy
Epot(MMFF94)=-3.36115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.284 g/mol  logS: -1.86074  SlogP: 0.0027  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.140949  Sterimol/B1: 2.13672  Sterimol/B2: 3.86098  Sterimol/B3: 3.93354
  Sterimol/B4: 6.72119  Sterimol/L: 13.2134 
 
 Surface and Volume Properties
  Accessible surface: 458.482  Positive charged surface: 308.377  Negative charged surface: 150.105  Volume: 225.5
  Hydrophobic surface: 297.976  Hydrophilic surface: 160.506
 
 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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MMs03458643
PUBCHEM-ZINC05954726