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PUBCHEM-ZINC03011973

 MMsINC code: MMs02979555
Type: Neutral
Formula: C3H10NO4P
SMILES:   P(O)(O)(=O)C(O)(CN)C
InChI:   InChI=1/C3H10NO4P/c1-3(5,2-4)9(6,7)8/h5H,2,4H2,1H3,(H2,6,7,8)/t3-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.24484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.09 g/mol  logS: 1.20699  SlogP: -2.2389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.25031  Sterimol/B1: 2.03471  Sterimol/B2: 3.13039  Sterimol/B3: 4.0452
  Sterimol/B4: 4.99356  Sterimol/L: 9.26379 
 
 Surface and Volume Properties
  Accessible surface: 304.746  Positive charged surface: 190.184  Negative charged surface: 114.561  Volume: 125
  Hydrophobic surface: 73.6954  Hydrophilic surface: 231.0506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.