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ACROSORGANICS-ZINC04262651

 MMsINC code: MMs00017712
Type: Neutral
Formula: C4H3N5O2
SMILES:   O=C1NC(=O)Nc2n[nH]nc12
InChI:   InChI=1/C4H3N5O2/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)

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Potential Energy
Epot(MMFF94)=-2.04256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.101 g/mol  logS: -0.35838  SlogP: -0.92  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.8252e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09714  Sterimol/B3: 3.69291
  Sterimol/B4: 4.3195  Sterimol/L: 9.5196 
 
 Surface and Volume Properties
  Accessible surface: 278.362  Positive charged surface: 151.676  Negative charged surface: 126.686  Volume: 109.875
  Hydrophobic surface: 0  Hydrophilic surface: 278.362
 
 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.