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NCID-ZINC01672935

 MMsINC code: MMs02308968
Type: Neutral
Formula: C4H5N3O3
SMILES:   O=C1NC(=O)NC(=O)C1N
InChI:   InChI=1/C4H5N3O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,5H2,(H2,6,7,8,9,10)

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Potential Energy
Epot(MMFF94)=-1.28333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.102 g/mol  logS: -0.21915  SlogP: -2.3203  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147195  Sterimol/B1: 2.4797  Sterimol/B2: 3.22727  Sterimol/B3: 4.04318
  Sterimol/B4: 4.12395  Sterimol/L: 8.68152 
 
 Surface and Volume Properties
  Accessible surface: 276.284  Positive charged surface: 155.605  Negative charged surface: 120.679  Volume: 108.75
  Hydrophobic surface: 19.5356  Hydrophilic surface: 256.7484
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.