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NCID-ZINC01571700

 MMsINC code: MMs02231702
Type: Neutral
Formula: C14H23O3P
SMILES:   P(OC(C)(C)C)(OC(C)(C)C)(=O)c1ccccc1
InChI:   InChI=1/C14H23O3P/c1-13(2,3)16-18(15,17-14(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3

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Potential Energy
Epot(MMFF94)=55.5698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.309 g/mol  logS: -3.3985  SlogP: 3.065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184867  Sterimol/B1: 2.5616  Sterimol/B2: 3.24726  Sterimol/B3: 4.7229
  Sterimol/B4: 7.52829  Sterimol/L: 12.4715 
 
 Surface and Volume Properties
  Accessible surface: 490.744  Positive charged surface: 299.043  Negative charged surface: 191.701  Volume: 275.25
  Hydrophobic surface: 378.736  Hydrophilic surface: 112.008
 
 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.