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AURORAFEINCHEMIE-ZINC02577217

 MMsINC code: MMs00455013
Type: Neutral
Formula: C10H15O2P
SMILES:   P(COC)(COC)c1ccccc1
InChI:   InChI=1/C10H15O2P/c1-11-8-13(9-12-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.9218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.202 g/mol  logS: -0.77188  SlogP: 2.0016  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.146197  Sterimol/B1: 2.2359  Sterimol/B2: 2.32399  Sterimol/B3: 4.23033
  Sterimol/B4: 7.56851  Sterimol/L: 11.443 
 
 Surface and Volume Properties
  Accessible surface: 424.071  Positive charged surface: 316.177  Negative charged surface: 107.894  Volume: 205.25
  Hydrophobic surface: 380.005  Hydrophilic surface: 44.066
 
 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.