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NCID-ZINC01765350

 MMsINC code: MMs02369456
Type: Neutral
Formula: C3H8IO3P
SMILES:   ICP(OC)(OC)=O
InChI:   InChI=1/C3H8IO3P/c1-6-8(5,3-4)7-2/h3H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.7813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.972 g/mol  logS: -1.12515  SlogP: 0.7946  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.218752  Sterimol/B1: 2.41255  Sterimol/B2: 3.77373  Sterimol/B3: 4.28335
  Sterimol/B4: 5.72843  Sterimol/L: 8.66815 
 
 Surface and Volume Properties
  Accessible surface: 337.507  Positive charged surface: 202.623  Negative charged surface: 134.884  Volume: 141.5
  Hydrophobic surface: 297.954  Hydrophilic surface: 39.553
 
 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.