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IBS-ZINC04811688

 MMsINC code: MMs01895324
Type: Neutral
Formula: C4H7O4P
SMILES:   [PH](O)(=O)C1CC(OC1)=O
InChI:   InChI=1/C4H7O4P/c5-4-1-3(2-8-4)9(6)7/h3,9H,1-2H2,(H,6,7)/t3-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-14.0355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.07 g/mol  logS: -0.0619  SlogP: -1.3013  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160203  Sterimol/B1: 2.70548  Sterimol/B2: 2.91991  Sterimol/B3: 3.04454
  Sterimol/B4: 4.59481  Sterimol/L: 10.1868 
 
 Surface and Volume Properties
  Accessible surface: 297.886  Positive charged surface: 158.574  Negative charged surface: 139.312  Volume: 116.25
  Hydrophobic surface: 128.99  Hydrophilic surface: 168.896
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.