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ENAMINE-ZINC06790318

 MMsINC code: MMs01699431
Type: Neutral
Formula: C19H22ClNO3
SMILES:   Clc1cc(ccc1)CNC(=O)c1cc(OC)c(OCC(C)C)cc1
InChI:   InChI=1/C19H22ClNO3/c1-13(2)12-24-17-8-7-15(10-18(17)23-3)19(22)21-11-14-5-4-6-16(20)9-14/h4-10,13H,11-12H2,1-3H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.3937 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.842 g/mol  logS: -4.86471  SlogP: 4.5798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0459379  Sterimol/B1: 2.03702  Sterimol/B2: 3.13621  Sterimol/B3: 5.22034
  Sterimol/B4: 9.29707  Sterimol/L: 17.3301 
 
 Surface and Volume Properties
  Accessible surface: 649.624  Positive charged surface: 399.389  Negative charged surface: 250.235  Volume: 335.625
  Hydrophobic surface: 551.048  Hydrophilic surface: 98.576
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.