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ACROSORGANICS-ZINC02560653

 MMsINC code: MMs00014352
Type: Neutral
Formula: C7H17O3P
SMILES:   P(OCC)(OCC)(=O)C(C)C
InChI:   InChI=1/C7H17O3P/c1-5-9-11(8,7(3)4)10-6-2/h7H,5-6H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.67713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.184 g/mol  logS: -0.92022  SlogP: 1.5907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.209431  Sterimol/B1: 2.4794  Sterimol/B2: 3.07907  Sterimol/B3: 4.17758
  Sterimol/B4: 7.47884  Sterimol/L: 11.2034 
 
 Surface and Volume Properties
  Accessible surface: 409.592  Positive charged surface: 291.37  Negative charged surface: 118.222  Volume: 182.25
  Hydrophobic surface: 289.828  Hydrophilic surface: 119.764
 
 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.