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NCID-ZINC04821513

 MMsINC code: MMs02409410
Type: Neutral
Formula: C23H19ClN2O
SMILES:   Clc1cc2nc3c(cccc3)c(N3CCCc4cc(OC)ccc34)c2cc1
InChI:   InChI=1/C23H19ClN2O/c1-27-17-9-11-22-15(13-17)5-4-12-26(22)23-18-6-2-3-7-20(18)25-21-14-16(24)8-10-19(21)23/h2-3,6-11,13-14H,4-5,12H2,1H3

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Potential Energy
Epot(MMFF94)=111.017 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.871 g/mol  logS: -6.74168  SlogP: 6.13427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.397439  Sterimol/B1: 2.53178  Sterimol/B2: 4.79853  Sterimol/B3: 7.48292
  Sterimol/B4: 7.50228  Sterimol/L: 13.429 
 
 Surface and Volume Properties
  Accessible surface: 608.133  Positive charged surface: 355.403  Negative charged surface: 247.584  Volume: 356.625
  Hydrophobic surface: 566.195  Hydrophilic surface: 41.938
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.