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ENAMINE-ZINC06586131

 MMsINC code: MMs01678278
Type: Neutral
Formula: C23H19ClN2O
SMILES:   Clc1n(nc(C)c1COc1ccc(cc1)-c1ccccc1)-c1ccccc1
InChI:   InChI=1/C23H19ClN2O/c1-17-22(23(24)26(25-17)20-10-6-3-7-11-20)16-27-21-14-12-19(13-15-21)18-8-4-2-5-9-18/h2-15H,16H2,1H3

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Potential Energy
Epot(MMFF94)=120.136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.871 g/mol  logS: -7.14239  SlogP: 6.34652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0528925  Sterimol/B1: 2.12622  Sterimol/B2: 3.45805  Sterimol/B3: 4.16419
  Sterimol/B4: 7.78406  Sterimol/L: 21.2045 
 
 Surface and Volume Properties
  Accessible surface: 657.004  Positive charged surface: 312.615  Negative charged surface: 333.053  Volume: 363.625
  Hydrophobic surface: 635.749  Hydrophilic surface: 21.255
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.