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PUBCHEM-ZINC05480294

 MMsINC code: MMs03281294
Type: Neutral
Formula: C11H13N3O5
SMILES:   O=C1N(CN(CN2C(=O)CCC2=O)C=O)C(=O)CC1
InChI:   InChI=1/C11H13N3O5/c15-7-12(5-13-8(16)1-2-9(13)17)6-14-10(18)3-4-11(14)19/h7H,1-6H2

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Potential Energy
Epot(MMFF94)=-44.0665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.241 g/mol  logS: 0.30246  SlogP: -1.3422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0887295  Sterimol/B1: 2.7275  Sterimol/B2: 2.80627  Sterimol/B3: 4.0003
  Sterimol/B4: 5.70913  Sterimol/L: 13.3038 
 
 Surface and Volume Properties
  Accessible surface: 441.828  Positive charged surface: 284.197  Negative charged surface: 157.631  Volume: 230.75
  Hydrophobic surface: 250.063  Hydrophilic surface: 191.765
 
 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.