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NCID-ZINC01681569

 MMsINC code: MMs02315452
Type: Neutral
Formula: C5H5N3O3
SMILES:   O=C1NC(=CC(=N1)N)C(O)=O
InChI:   InChI=1/C5H5N3O3/c6-3-1-2(4(9)10)7-5(11)8-3/h1H,(H,9,10)(H3,6,7,8,11)

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Potential Energy
Epot(MMFF94)=-14.4944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.113 g/mol  logS: -0.90845  SlogP: -0.9647  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.60869e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09786  Sterimol/B3: 2.9532
  Sterimol/B4: 5.67607  Sterimol/L: 10.314 
 
 Surface and Volume Properties
  Accessible surface: 298.836  Positive charged surface: 173.95  Negative charged surface: 124.886  Volume: 121.25
  Hydrophobic surface: 34.7443  Hydrophilic surface: 264.0917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02315453
NCID-ZINC01681569