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NCID-ZINC01674634

 MMsINC code: MMs02310150
Type: Neutral
Formula: C16H23O5P
SMILES:   P(OCC)(OCC)(=O)\C(=C\c1ccc(cc1)C)\C(OCC)=O
InChI:   InChI=1/C16H23O5P/c1-5-19-16(17)15(22(18,20-6-2)21-7-3)12-14-10-8-13(4)9-11-14/h8-12H,5-7H2,1-4H3/b15-12-

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Potential Energy
Epot(MMFF94)=76.1786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.329 g/mol  logS: -3.81437  SlogP: 3.09492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221657  Sterimol/B1: 3.93161  Sterimol/B2: 4.18897  Sterimol/B3: 5.40947
  Sterimol/B4: 7.32625  Sterimol/L: 15.4977 
 
 Surface and Volume Properties
  Accessible surface: 588.736  Positive charged surface: 397.528  Negative charged surface: 191.208  Volume: 315.75
  Hydrophobic surface: 465.542  Hydrophilic surface: 123.194
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.