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ENAMINE-ZINC06650946

 MMsINC code: MMs01691784
Type: Neutral
Formula: C19H24ClF2NO2
SMILES:   Clc1cc(cc(OC)c1OC(F)F)CNC1C2CC3CC1CC(C2)C3
InChI:   InChI=1/C19H24ClF2NO2/c1-24-16-8-12(7-15(20)18(16)25-19(21)22)9-23-17-13-3-10-2-11(5-13)6-14(17)4-10/h7-8,10-11,13-14,17,19,23H,2-6,9H2,1H3/t10-,11+,13-,14+,17-

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Potential Energy
Epot(MMFF94)=82.2958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.855 g/mol  logS: -4.74534  SlogP: 5.5506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0822978  Sterimol/B1: 2.38155  Sterimol/B2: 3.88119  Sterimol/B3: 3.98458
  Sterimol/B4: 8.2607  Sterimol/L: 16.3802 
 
 Surface and Volume Properties
  Accessible surface: 583.111  Positive charged surface: 394.519  Negative charged surface: 188.592  Volume: 330.625
  Hydrophobic surface: 495.852  Hydrophilic surface: 87.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01691785
ENAMINE-ZINC06650946