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NCID-ZINC01572549

 MMsINC code: MMs02232244
Type: Neutral
Formula: C4H5N3O4
SMILES:   O=C1NC(NC(=O)N1)C(O)=O
InChI:   InChI=1/C4H5N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h1H,(H,8,9)(H3,5,6,7,10,11)

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Potential Energy
Epot(MMFF94)=-36.3416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.101 g/mol  logS: 0.14173  SlogP: -1.5805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113914  Sterimol/B1: 2.51972  Sterimol/B2: 3.5316  Sterimol/B3: 3.57543
  Sterimol/B4: 4.28453  Sterimol/L: 9.18192 
 
 Surface and Volume Properties
  Accessible surface: 293.069  Positive charged surface: 168.32  Negative charged surface: 124.749  Volume: 116.25
  Hydrophobic surface: 20.0644  Hydrophilic surface: 273.0046
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs02232245
NCID-ZINC01572549