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CHEMDIV-ZINC02023716

 MMsINC code: MMs00869740
Type: Neutral
Formula: C10H12N2O5
SMILES:   O=C1N(COCN2C(=O)CCC2=O)C(=O)CC1
InChI:   InChI=1/C10H12N2O5/c13-7-1-2-8(14)11(7)5-17-6-12-9(15)3-4-10(12)16/h1-6H2

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Potential Energy
Epot(MMFF94)=-29.6384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.215 g/mol  logS: 0.12268  SlogP: -0.784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0791709  Sterimol/B1: 3.26499  Sterimol/B2: 3.51271  Sterimol/B3: 3.71113
  Sterimol/B4: 3.93075  Sterimol/L: 12.9677 
 
 Surface and Volume Properties
  Accessible surface: 420.823  Positive charged surface: 266.748  Negative charged surface: 154.076  Volume: 205.875
  Hydrophobic surface: 252.517  Hydrophilic surface: 168.306
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.