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PUBCHEM-ZINC06270184

 MMsINC code: MMs03650770
Type: Neutral
Formula: C24H24ClNO2
SMILES:   Clc1cc(C)c(OCCCC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChI:   InChI=1/C24H24ClNO2/c1-18-17-21(25)14-15-22(18)28-16-8-13-23(27)26-24(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,14-15,17,24H,8,13,16H2,1H3,(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.6796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.914 g/mol  logS: -6.12208  SlogP: 5.80872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0716289  Sterimol/B1: 2.37717  Sterimol/B2: 4.34798  Sterimol/B3: 6.34022
  Sterimol/B4: 6.68254  Sterimol/L: 20.0356 
 
 Surface and Volume Properties
  Accessible surface: 714.726  Positive charged surface: 392.757  Negative charged surface: 321.97  Volume: 392.375
  Hydrophobic surface: 682.747  Hydrophilic surface: 31.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.