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NCID-ZINC01723308

 MMsINC code: MMs02347602
Type: Neutral
Formula: C6H12N2O3
SMILES:   O(CN(C=O)C)CN(C=O)C
InChI:   InChI=1/C6H12N2O3/c1-7(3-9)5-11-6-8(2)4-10/h3-4H,5-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-7.64483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.173 g/mol  logS: 0.9301  SlogP: -0.9056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116303  Sterimol/B1: 2.49114  Sterimol/B2: 3.22527  Sterimol/B3: 3.27627
  Sterimol/B4: 4.39008  Sterimol/L: 10.5395 
 
 Surface and Volume Properties
  Accessible surface: 352.401  Positive charged surface: 283.52  Negative charged surface: 68.881  Volume: 154.625
  Hydrophobic surface: 215.414  Hydrophilic surface: 136.987
 
 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.