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PUBCHEM-ZINC02009974

 MMsINC code: MMs02848497
Type: Neutral
Formula: C10H15O3P
SMILES:   P(Oc1ccccc1)(OC(C)C)(=O)C
InChI:   InChI=1/C10H15O3P/c1-9(2)12-14(3,11)13-10-7-5-4-6-8-10/h4-9H,1-3H3/t14-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.5799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.201 g/mol  logS: -1.96788  SlogP: 2.2431  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130827  Sterimol/B1: 2.03537  Sterimol/B2: 2.50959  Sterimol/B3: 4.31159
  Sterimol/B4: 7.24557  Sterimol/L: 11.8467 
 
 Surface and Volume Properties
  Accessible surface: 427.629  Positive charged surface: 263.109  Negative charged surface: 164.52  Volume: 208.375
  Hydrophobic surface: 337.21  Hydrophilic surface: 90.419
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.