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ACROSORGANICS-ZINC05177750

 MMsINC code: MMs00018694
Type: Neutral
Formula: C2H4N2O2
SMILES:   O=C(N)C(=O)N
InChI:   InChI=1/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.1112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 88.066 g/mol  logS: -0.14766  SlogP: -2.043  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.42325e-06  Sterimol/B1: 1.992  Sterimol/B2: 1.99441  Sterimol/B3: 2.95227
  Sterimol/B4: 3.83325  Sterimol/L: 7.85317 
 
 Surface and Volume Properties
  Accessible surface: 218.175  Positive charged surface: 134.803  Negative charged surface: 83.3717  Volume: 73.875
  Hydrophobic surface: 0  Hydrophilic surface: 218.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.