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PUBCHEM-ZINC05376499

 MMsINC code: MMs03250490
Type: Neutral
Formula: C17H27O2P
SMILES:   P(OC1CC(CCC1C(C)C)C)(=O)(C)c1ccccc1
InChI:   InChI=1/C17H27O2P/c1-13(2)16-11-10-14(3)12-17(16)19-20(4,18)15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3/t14-,16-,17+,20-/m0/s1

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Potential Energy
Epot(MMFF94)=61.4185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.375 g/mol  logS: -4.39925  SlogP: 3.627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174483  Sterimol/B1: 2.44651  Sterimol/B2: 2.95876  Sterimol/B3: 5.0044
  Sterimol/B4: 7.63128  Sterimol/L: 14.4479 
 
 Surface and Volume Properties
  Accessible surface: 531.375  Positive charged surface: 349.793  Negative charged surface: 181.582  Volume: 309.125
  Hydrophobic surface: 451.137  Hydrophilic surface: 80.238
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.