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PUBCHEM-ZINC05912609

 MMsINC code: MMs03441747
Type: Ionized
Formula: C9H15N2O3-
SMILES:   O=C([O-])C(NC(=O)NC1CCCC1)C
InChI:   InChI=1/C9H16N2O3/c1-6(8(12)13)10-9(14)11-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,13)(H2,10,11,14)/p-1/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=-2.92134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.23 g/mol  logS: -1.14375  SlogP: -0.6334  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.107942  Sterimol/B1: 2.33502  Sterimol/B2: 3.01484  Sterimol/B3: 3.87138
  Sterimol/B4: 5.11833  Sterimol/L: 13.0559 
 
 Surface and Volume Properties
  Accessible surface: 414.726  Positive charged surface: 269.632  Negative charged surface: 145.093  Volume: 191
  Hydrophobic surface: 261.174  Hydrophilic surface: 153.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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MMs03441746
PUBCHEM-ZINC05912609