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CHEMDIV-ZINC06876412

 MMsINC code: MMs01051490
Type: Neutral
Formula: C19H23FN2O3
SMILES:   Fc1ccc(cc1)-c1onc(c1)COCC(=O)N1CCCCC1CC
InChI:   InChI=1/C19H23FN2O3/c1-2-17-5-3-4-10-22(17)19(23)13-24-12-16-11-18(25-21-16)14-6-8-15(20)9-7-14/h6-9,11,17H,2-5,10,12-13H2,1H3/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=104.992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.402 g/mol  logS: -4.34022  SlogP: 4.0548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0217053  Sterimol/B1: 2.31852  Sterimol/B2: 2.51536  Sterimol/B3: 3.63523
  Sterimol/B4: 8.36135  Sterimol/L: 18.439 
 
 Surface and Volume Properties
  Accessible surface: 625.38  Positive charged surface: 401.59  Negative charged surface: 223.79  Volume: 330.125
  Hydrophobic surface: 544.747  Hydrophilic surface: 80.633
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.