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PUBCHEM-ZINC06398303

 MMsINC code: MMs03707075
Type: Neutral
Formula: C19H22ClNO3
SMILES:   Clc1cc(cc(OCC)c1OCc1ccccc1)C(=O)NCCC
InChI:   InChI=1/C19H22ClNO3/c1-3-10-21-19(22)15-11-16(20)18(17(12-15)23-4-2)24-13-14-8-6-5-7-9-14/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.6448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.842 g/mol  logS: -4.99015  SlogP: 4.7239  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0139929  Sterimol/B1: 2.67691  Sterimol/B2: 2.79097  Sterimol/B3: 4.27864
  Sterimol/B4: 7.81989  Sterimol/L: 19.4767 
 
 Surface and Volume Properties
  Accessible surface: 635.71  Positive charged surface: 386.925  Negative charged surface: 248.786  Volume: 338.5
  Hydrophobic surface: 535.381  Hydrophilic surface: 100.329
 
 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.