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PUBCHEM-ZINC01850155

 MMsINC code: MMs02825452
Type: Neutral
Formula: C8H14N4O7
SMILES:   O=C1N(CO)C(=O)N(CO)C1N(C(=O)NCO)CO
InChI:   InChI=1/C8H14N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5,13-16H,1-4H2,(H,9,18)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-57.5958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.221 g/mol  logS: 2.27113  SlogP: -3.6125  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.410032  Sterimol/B1: 2.58338  Sterimol/B2: 3.49326  Sterimol/B3: 6.00272
  Sterimol/B4: 6.53623  Sterimol/L: 11.1649 
 
 Surface and Volume Properties
  Accessible surface: 465.712  Positive charged surface: 335.966  Negative charged surface: 129.746  Volume: 222
  Hydrophobic surface: 139.476  Hydrophilic surface: 326.236
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.