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NCID-ZINC05015004

 MMsINC code: MMs02428560
Type: Neutral
Formula: C6H14NO4P
SMILES:   P(OCC)(OCC)(=O)\C(=N/O)\C
InChI:   InChI=1/C6H14NO4P/c1-4-10-12(9,11-5-2)6(3)7-8/h8H,4-5H2,1-3H3/b7-6+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.8772 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.155 g/mol  logS: -0.47569  SlogP: 0.9899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130275  Sterimol/B1: 2.30617  Sterimol/B2: 2.9942  Sterimol/B3: 4.06827
  Sterimol/B4: 8.13406  Sterimol/L: 10.4738 
 
 Surface and Volume Properties
  Accessible surface: 419.567  Positive charged surface: 280.653  Negative charged surface: 138.914  Volume: 176.625
  Hydrophobic surface: 254.69  Hydrophilic surface: 164.877
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.