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NCID-ZINC01694015

 MMsINC code: MMs02325377
Type: Neutral
Formula: C5H5N3O3
SMILES:   O=C1NC(=O)NC(=C1)C(=O)N
InChI:   InChI=1/C5H5N3O3/c6-4(10)2-1-3(9)8-5(11)7-2/h1H,(H2,6,10)(H2,7,8,9,11)

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Potential Energy
Epot(MMFF94)=-22.9803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.113 g/mol  logS: -0.99041  SlogP: -1.805  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.60796e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09795  Sterimol/B3: 2.52107
  Sterimol/B4: 5.53403  Sterimol/L: 9.56094 
 
 Surface and Volume Properties
  Accessible surface: 292.289  Positive charged surface: 158.715  Negative charged surface: 133.574  Volume: 121.375
  Hydrophobic surface: 39.9177  Hydrophilic surface: 252.3713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.