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NCID-ZINC01612969

 MMsINC code: MMs02263170
Type: Neutral
Formula: C13H19OP
SMILES:   P1(CC(COC1(C)C)C)c1ccccc1
InChI:   InChI=1/C13H19OP/c1-11-9-14-13(2,3)15(10-11)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=58.5073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.268 g/mol  logS: -2.481  SlogP: 3.1962  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.128658  Sterimol/B1: 3.03468  Sterimol/B2: 3.37117  Sterimol/B3: 3.77119
  Sterimol/B4: 6.65394  Sterimol/L: 12.4878 
 
 Surface and Volume Properties
  Accessible surface: 421.071  Positive charged surface: 275.146  Negative charged surface: 145.925  Volume: 233.125
  Hydrophobic surface: 345.096  Hydrophilic surface: 75.975
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.