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NCID-ZINC01722425

 MMsINC code: MMs02346908
Type: Neutral
Formula: C4H13N2O3P
SMILES:   P(OCC)(OCC)(=O)NN
InChI:   InChI=1/C4H13N2O3P/c1-3-8-10(7,6-5)9-4-2/h3-5H2,1-2H3,(H,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.1589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.133 g/mol  logS: -0.33165  SlogP: -0.4394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118624  Sterimol/B1: 2.5156  Sterimol/B2: 2.58506  Sterimol/B3: 4.34515
  Sterimol/B4: 5.55027  Sterimol/L: 12.2448 
 
 Surface and Volume Properties
  Accessible surface: 377.015  Positive charged surface: 268.283  Negative charged surface: 108.733  Volume: 152
  Hydrophobic surface: 199.095  Hydrophilic surface: 177.92
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.