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PUBCHEM-ZINC02870021

 MMsINC code: MMs02948227
Type: Neutral
Formula: C26H23NO2
SMILES:   Oc1ccc2c(cccc2)c1C(NC(=O)Cc1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C26H23NO2/c1-18-11-13-21(14-12-18)26(27-24(29)17-19-7-3-2-4-8-19)25-22-10-6-5-9-20(22)15-16-23(25)28/h2-16,26,28H,17H2,1H3,(H,27,29)/t26-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.475 g/mol  logS: -7.11813  SlogP: 5.39759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202838  Sterimol/B1: 1.969  Sterimol/B2: 4.31346  Sterimol/B3: 5.56365
  Sterimol/B4: 10.5392  Sterimol/L: 16.1621 
 
 Surface and Volume Properties
  Accessible surface: 667.071  Positive charged surface: 377.964  Negative charged surface: 279.063  Volume: 385.75
  Hydrophobic surface: 620.586  Hydrophilic surface: 46.485
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.