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PUBCHEM-ZINC02146741

 MMsINC code: MMs02876717
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-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.6633 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: 0.207074  Sterimol/B1: 2.4806  Sterimol/B2: 3.0132  Sterimol/B3: 5.63471
  Sterimol/B4: 8.18216  Sterimol/L: 12.3908 
 
 Surface and Volume Properties
  Accessible surface: 508.78  Positive charged surface: 318.523  Negative charged surface: 190.257  Volume: 279.125
  Hydrophobic surface: 413.656  Hydrophilic surface: 95.124
 
 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.