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PUBCHEM-ZINC04877107

 MMsINC code: MMs03180908
Type: Neutral
Formula: C10H15N3O6
SMILES:   O1C(CO)C(O)C(O)CC1N1N=C(C)C(=O)NC1=O
InChI:   InChI=1/C10H15N3O6/c1-4-9(17)11-10(18)13(12-4)7-2-5(15)8(16)6(3-14)19-7/h5-8,14-16H,2-3H2,1H3,(H,11,17,18)/t5-,6-,7+,8-/m0/s1

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Potential Energy
Epot(MMFF94)=78.7324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.245 g/mol  logS: -0.34625  SlogP: -2.2568  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.410623  Sterimol/B1: 2.11787  Sterimol/B2: 4.51185  Sterimol/B3: 5.7261
  Sterimol/B4: 6.98501  Sterimol/L: 11.326 
 
 Surface and Volume Properties
  Accessible surface: 445.386  Positive charged surface: 303.746  Negative charged surface: 141.64  Volume: 225.25
  Hydrophobic surface: 182.059  Hydrophilic surface: 263.327
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.