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APOLLO-ZINC02573152

 MMsINC code: MMs00054805
Type: Neutral
Formula: C10H15O4P
SMILES:   P(OCC)(OCC)(=O)c1cc(O)ccc1
InChI:   InChI=1/C10H15O4P/c1-3-13-15(12,14-4-2)10-7-5-6-9(11)8-10/h5-8,11H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.2419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.2 g/mol  logS: -1.72771  SlogP: 1.2134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0737105  Sterimol/B1: 2.32525  Sterimol/B2: 3.03634  Sterimol/B3: 4.1764
  Sterimol/B4: 8.06924  Sterimol/L: 12.2679 
 
 Surface and Volume Properties
  Accessible surface: 463.618  Positive charged surface: 291.471  Negative charged surface: 172.148  Volume: 213.125
  Hydrophobic surface: 327.543  Hydrophilic surface: 136.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.