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PUBCHEM-ZINC02146743

 MMsINC code: MMs02876718
Type: Neutral
Formula: C14H23O3P
SMILES:   P(OC(CC)C)(OC(CC)C)(=O)c1ccccc1
InChI:   InChI=1/C14H23O3P/c1-5-12(3)16-18(15,17-13(4)6-2)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3/t12-,13+,18-

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Potential Energy
Epot(MMFF94)=32.9653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.309 g/mol  logS: -3.14762  SlogP: 3.065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.282565  Sterimol/B1: 2.11274  Sterimol/B2: 2.61267  Sterimol/B3: 6.06062
  Sterimol/B4: 8.03751  Sterimol/L: 12.2907 
 
 Surface and Volume Properties
  Accessible surface: 506.734  Positive charged surface: 317.551  Negative charged surface: 189.183  Volume: 277.625
  Hydrophobic surface: 414.986  Hydrophilic surface: 91.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.