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ACROSORGANICS-ZINC02560580

 MMsINC code: MMs00014348
Type: Neutral
Formula: C7H17O3P
SMILES:   P(OCC)(OCC)(=O)CCC
InChI:   InChI=1/C7H17O3P/c1-4-7-11(8,9-5-2)10-6-3/h4-7H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.77512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.184 g/mol  logS: -0.79478  SlogP: 1.5923  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0919283  Sterimol/B1: 2.72632  Sterimol/B2: 3.90675  Sterimol/B3: 4.23675
  Sterimol/B4: 5.87916  Sterimol/L: 12.2449 
 
 Surface and Volume Properties
  Accessible surface: 416.475  Positive charged surface: 303.156  Negative charged surface: 113.319  Volume: 180.875
  Hydrophobic surface: 311.876  Hydrophilic surface: 104.599
 
 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.