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PUBCHEM-ZINC02731839

 MMsINC code: MMs02913020
Type: Neutral
Formula: C26H28ClNO2
SMILES:   Clc1ccccc1OCc1ccc(cc1)C(=O)NC(C)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C26H28ClNO2/c1-18(20-13-15-22(16-14-20)26(2,3)4)28-25(29)21-11-9-19(10-12-21)17-30-24-8-6-5-7-23(24)27/h5-16,18H,17H2,1-4H3,(H,28,29)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.968 g/mol  logS: -8.19827  SlogP: 7.0694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0409141  Sterimol/B1: 2.28985  Sterimol/B2: 2.90804  Sterimol/B3: 5.37467
  Sterimol/B4: 8.55305  Sterimol/L: 21.6944 
 
 Surface and Volume Properties
  Accessible surface: 758.96  Positive charged surface: 417.165  Negative charged surface: 341.794  Volume: 423.625
  Hydrophobic surface: 648.949  Hydrophilic surface: 110.011
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.