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NCID-ZINC01736472

 MMsINC code: MMs02357947
Type: Neutral
Formula: C16H25O3P
SMILES:   P(OCCCC)(OCCCC)(=O)\C=C\c1ccccc1
InChI:   InChI=1/C16H25O3P/c1-3-5-13-18-20(17,19-14-6-4-2)15-12-16-10-8-7-9-11-16/h7-12,15H,3-6,13-14H2,1-2H3/b15-12+

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Potential Energy
Epot(MMFF94)=29.1357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.347 g/mol  logS: -3.74025  SlogP: 4.4136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0574037  Sterimol/B1: 2.11315  Sterimol/B2: 2.97934  Sterimol/B3: 4.89474
  Sterimol/B4: 11.4511  Sterimol/L: 16.6688 
 
 Surface and Volume Properties
  Accessible surface: 620.087  Positive charged surface: 404.14  Negative charged surface: 215.947  Volume: 307.625
  Hydrophobic surface: 523.935  Hydrophilic surface: 96.152
 
 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.