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AURORAFEINCHEMIE-ZINC02577241

 MMsINC code: MMs00455030
Type: Neutral
Formula: C10H15O3P
SMILES:   P(Oc1ccccc1)(OCC)OCC
InChI:   InChI=1/C10H15O3P/c1-3-11-14(12-4-2)13-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.4226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.201 g/mol  logS: -2.37192  SlogP: 3.3653  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0561721  Sterimol/B1: 2.51694  Sterimol/B2: 3.373  Sterimol/B3: 3.46332
  Sterimol/B4: 6.91199  Sterimol/L: 13.6763 
 
 Surface and Volume Properties
  Accessible surface: 455.487  Positive charged surface: 306.275  Negative charged surface: 149.213  Volume: 210
  Hydrophobic surface: 382.751  Hydrophilic surface: 72.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.