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ACROSORGANICS-ZINC00388298

 MMsINC code: MMs00006948
Type: Neutral
Formula: C10H15O2P
SMILES:   P(OCC)(OCC)c1ccccc1
InChI:   InChI=1/C10H15O2P/c1-3-11-13(12-4-2)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)=27.633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.202 g/mol  logS: -2.23914  SlogP: 2.6968  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.131182  Sterimol/B1: 2.24515  Sterimol/B2: 2.47074  Sterimol/B3: 4.2621
  Sterimol/B4: 7.87815  Sterimol/L: 12.1892 
 
 Surface and Volume Properties
  Accessible surface: 428.953  Positive charged surface: 305.78  Negative charged surface: 123.173  Volume: 203.5
  Hydrophobic surface: 379.852  Hydrophilic surface: 49.101
 
 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.