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ACROSORGANICS-ZINC00895200

 MMsINC code: MMs00008143
Type: Neutral
Formula: C5H4N4O3
SMILES:   O=C1NC(=O)NC=2NC(=O)NC1=2
InChI:   InChI=1/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)

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Potential Energy
Epot(MMFF94)=-10.8767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.112 g/mol  logS: -0.99599  SlogP: -1.6923  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.5507e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09746  Sterimol/B3: 3.66335
  Sterimol/B4: 4.30897  Sterimol/L: 10.236 
 
 Surface and Volume Properties
  Accessible surface: 298.036  Positive charged surface: 180.031  Negative charged surface: 118.005  Volume: 123.25
  Hydrophobic surface: 9.23885  Hydrophilic surface: 288.79715
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.