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PUBCHEM-ZINC05457933

 MMsINC code: MMs03275553
Type: Neutral
Formula: C19H20ClNO2
SMILES:   Clc1ccccc1CC1N=C(c2cc(OC)c(OC)cc2C1)C
InChI:   InChI=1/C19H20ClNO2/c1-12-16-11-19(23-3)18(22-2)10-14(16)9-15(21-12)8-13-6-4-5-7-17(13)20/h4-7,10-11,15H,8-9H2,1-3H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=115.18 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.827 g/mol  logS: -4.64021  SlogP: 4.33354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0681954  Sterimol/B1: 1.99236  Sterimol/B2: 3.02165  Sterimol/B3: 4.43431
  Sterimol/B4: 7.75113  Sterimol/L: 15.3152 
 
 Surface and Volume Properties
  Accessible surface: 567.3  Positive charged surface: 389.495  Negative charged surface: 177.805  Volume: 319.25
  Hydrophobic surface: 543.897  Hydrophilic surface: 23.403
 
 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.