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PUBCHEM-ZINC05133398

 MMsINC code: MMs03208320
Type: Neutral
Formula: C9H10N2O4
SMILES:   O=C1NC(=O)CCC1N1C(=O)CCC1=O
InChI:   InChI=1/C9H10N2O4/c12-6-2-1-5(9(15)10-6)11-7(13)3-4-8(11)14/h5H,1-4H2,(H,10,12,15)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-3.69536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.189 g/mol  logS: -0.74952  SlogP: -1.0594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159381  Sterimol/B1: 2.50105  Sterimol/B2: 2.78485  Sterimol/B3: 4.3377
  Sterimol/B4: 4.70152  Sterimol/L: 11.4221 
 
 Surface and Volume Properties
  Accessible surface: 373.524  Positive charged surface: 217.075  Negative charged surface: 156.449  Volume: 176.25
  Hydrophobic surface: 190.597  Hydrophilic surface: 182.927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.