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PUBCHEM-ZINC02014784

 MMsINC code: MMs02851242
Type: Neutral
Formula: C10H23O2P
SMILES:   P(OCC)(=O)(CCCCCC)CC
InChI:   InChI=1/C10H23O2P/c1-4-7-8-9-10-13(11,6-3)12-5-2/h4-10H2,1-3H3/t13-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.42056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.266 g/mol  logS: -2.08588  SlogP: 2.831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.048824  Sterimol/B1: 3.22852  Sterimol/B2: 3.28735  Sterimol/B3: 4.30564
  Sterimol/B4: 5.01985  Sterimol/L: 14.9159 
 
 Surface and Volume Properties
  Accessible surface: 478.004  Positive charged surface: 362.123  Negative charged surface: 115.881  Volume: 227
  Hydrophobic surface: 385.983  Hydrophilic surface: 92.021
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.