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CHEMDIV-ZINC00201878

 MMsINC code: MMs00838688
Type: Neutral
Formula: C16H24FNO2
SMILES:   Fc1ccc(cc1)C1(CC(OCC1)(C)C)C(CN)CO
InChI:   InChI=1/C16H24FNO2/c1-15(2)11-16(7-8-20-15,13(9-18)10-19)12-3-5-14(17)6-4-12/h3-6,13,19H,7-11,18H2,1-2H3/t13-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=254.78 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.371 g/mol  logS: -2.3786  SlogP: 2.2197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.333401  Sterimol/B1: 2.78182  Sterimol/B2: 3.86445  Sterimol/B3: 5.41105
  Sterimol/B4: 7.46987  Sterimol/L: 12.6837 
 
 Surface and Volume Properties
  Accessible surface: 470.262  Positive charged surface: 328.623  Negative charged surface: 141.64  Volume: 270.75
  Hydrophobic surface: 338.22  Hydrophilic surface: 132.042
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.