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BACHEM-ZINC04899651

 MMsINC code: MMs00485159
Type: Ionized
Formula: C8H15N2O4-
SMILES:   O(CCCC)C(=O)NC(CN)C(=O)[O-]
InChI:   InChI=1/C8H16N2O4/c1-2-3-4-14-8(13)10-6(5-9)7(11)12/h6H,2-5,9H2,1H3,(H,10,13)(H,11,12)/p-1/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=-0.0396922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.218 g/mol  logS: -0.83178  SlogP: -1.4101  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0469965  Sterimol/B1: 2.74508  Sterimol/B2: 3.33209  Sterimol/B3: 4.04672
  Sterimol/B4: 4.29874  Sterimol/L: 14.728 
 
 Surface and Volume Properties
  Accessible surface: 434.55  Positive charged surface: 294.167  Negative charged surface: 140.383  Volume: 193.25
  Hydrophobic surface: 230.45  Hydrophilic surface: 204.1
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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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MMs00485158
BACHEM-ZINC04899651