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ASINEX-ZINC05027532

 MMsINC code: MMs00438982
Type: Neutral
Formula: C7H10N4O4
SMILES:   O=C1NC2NC(=O)NC2N1CC(OC)=O
InChI:   InChI=1/C7H10N4O4/c1-15-3(12)2-11-5-4(9-7(11)14)8-6(13)10-5/h4-5H,2H2,1H3,(H,9,14)(H2,8,10,13)/t4-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=-13.3082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.181 g/mol  logS: 0.02056  SlogP: -1.8504  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.142594  Sterimol/B1: 2.71507  Sterimol/B2: 3.95031  Sterimol/B3: 4.29515
  Sterimol/B4: 4.70923  Sterimol/L: 11.5752 
 
 Surface and Volume Properties
  Accessible surface: 381.729  Positive charged surface: 285.406  Negative charged surface: 96.3224  Volume: 174.125
  Hydrophobic surface: 163.75  Hydrophilic surface: 217.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.