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ACROSORGANICS-ZINC06731771

 MMsINC code: MMs00019143
Type: Neutral
Formula: C3H3NO3
SMILES:   O=CN(C=O)C=O
InChI:   InChI=1/C3H3NO3/c5-1-4(2-6)3-7/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.99315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 101.061 g/mol  logS: -0.12058  SlogP: -1.2424  Reactive groups: 0
 
 Topological Properties
  Globularity: 8.77324e-07  Sterimol/B1: 1.992  Sterimol/B2: 1.99407  Sterimol/B3: 3.12671
  Sterimol/B4: 3.90147  Sterimol/L: 7.77179 
 
 Surface and Volume Properties
  Accessible surface: 228.758  Positive charged surface: 142.661  Negative charged surface: 86.0967  Volume: 80.25
  Hydrophobic surface: 50.23  Hydrophilic surface: 178.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.