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PUBCHEM-ZINC05760930

 MMsINC code: MMs03374155
Type: Neutral
Formula: C9H13O4P
SMILES:   P(Oc1ccccc1)(OC(C)C)(O)=O
InChI:   InChI=1/C9H13O4P/c1-8(2)12-14(10,11)13-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,10,11)

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Potential Energy
Epot(MMFF94)=-7.27061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.173 g/mol  logS: -1.87726  SlogP: 1.5206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0341243  Sterimol/B1: 2.35653  Sterimol/B2: 2.80756  Sterimol/B3: 2.90033
  Sterimol/B4: 4.94461  Sterimol/L: 13.4495 
 
 Surface and Volume Properties
  Accessible surface: 425.149  Positive charged surface: 239.639  Negative charged surface: 185.51  Volume: 196
  Hydrophobic surface: 300.914  Hydrophilic surface: 124.235
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.