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ACROSORGANICS-ZINC00388299

 MMsINC code: MMs00006949
Type: Neutral
Formula: C8H11O2P
SMILES:   P(OC)(OC)c1ccccc1
InChI:   InChI=1/C8H11O2P/c1-9-11(10-2)8-6-4-3-5-7-8/h3-7H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.3824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.148 g/mol  logS: -1.58472  SlogP: 1.9166  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.10952  Sterimol/B1: 2.18135  Sterimol/B2: 2.34764  Sterimol/B3: 3.88843
  Sterimol/B4: 6.30138  Sterimol/L: 11.0468 
 
 Surface and Volume Properties
  Accessible surface: 372.067  Positive charged surface: 285.434  Negative charged surface: 86.6332  Volume: 168
  Hydrophobic surface: 365.555  Hydrophilic surface: 6.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.