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PUBCHEM-ZINC00139519

 MMsINC code: MMs02635319
Type: Neutral
Formula: C19H22ClNO2
SMILES:   Clc1ccc(NC(OCc2c(C)c(C)c(C)c(C)c2C)=O)cc1
InChI:   InChI=1/C19H22ClNO2/c1-11-12(2)14(4)18(15(5)13(11)3)10-23-19(22)21-17-8-6-16(20)7-9-17/h6-9H,10H2,1-5H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.1612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.843 g/mol  logS: -6.53558  SlogP: 5.8972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0556484  Sterimol/B1: 2.97675  Sterimol/B2: 3.95991  Sterimol/B3: 4.65058
  Sterimol/B4: 5.00801  Sterimol/L: 18.5689 
 
 Surface and Volume Properties
  Accessible surface: 599.638  Positive charged surface: 324.347  Negative charged surface: 275.292  Volume: 324
  Hydrophobic surface: 542.777  Hydrophilic surface: 56.861
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.