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ENAMINE-ZINC06625478

 MMsINC code: MMs01687304
Type: Neutral
Formula: C19H17Cl2NO2
SMILES:   Clc1cc(Cl)ccc1CN(CC1=CC(Oc2c1ccc(c2)C)=O)C
InChI:   InChI=1/C19H17Cl2NO2/c1-12-3-6-16-14(8-19(23)24-18(16)7-12)11-22(2)10-13-4-5-15(20)9-17(13)21/h3-9H,10-11H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.0638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.256 g/mol  logS: -6.38888  SlogP: 5.00262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0928143  Sterimol/B1: 2.5571  Sterimol/B2: 3.64828  Sterimol/B3: 3.90332
  Sterimol/B4: 8.41076  Sterimol/L: 15.2985 
 
 Surface and Volume Properties
  Accessible surface: 562.011  Positive charged surface: 290.214  Negative charged surface: 271.797  Volume: 326.875
  Hydrophobic surface: 484.596  Hydrophilic surface: 77.415
 
 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


MMs01687305
ENAMINE-ZINC06625478