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NCID-ZINC04404597

 MMsINC code: MMs02385297
Type: Neutral
Formula: C2H7O3P
SMILES:   P(OC)(OC)O
InChI:   InChI=1/C2H7O3P/c1-4-6(3)5-2/h3H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.59525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 110.049 g/mol  logS: 0.32976  SlogP: 0.4984  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0516422  Sterimol/B1: 2.1697  Sterimol/B2: 2.29793  Sterimol/B3: 2.56164
  Sterimol/B4: 3.89837  Sterimol/L: 9.47308 
 
 Surface and Volume Properties
  Accessible surface: 274.717  Positive charged surface: 232.268  Negative charged surface: 42.4498  Volume: 93.125
  Hydrophobic surface: 184.988  Hydrophilic surface: 89.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.