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PUBCHEM-ZINC03076533

 MMsINC code: MMs02990316
Type: Neutral
Formula: C23H25NO2
SMILES:   Oc1c(cc(NC(=O)c2cc3c(cc2)cccc3)cc1C(C)C)C(C)C
InChI:   InChI=1/C23H25NO2/c1-14(2)20-12-19(13-21(15(3)4)22(20)25)24-23(26)18-10-9-16-7-5-6-8-17(16)11-18/h5-15,25H,1-4H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.8929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.458 g/mol  logS: -7.25262  SlogP: 6.0445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562412  Sterimol/B1: 2.53612  Sterimol/B2: 3.05911  Sterimol/B3: 4.7626
  Sterimol/B4: 8.81907  Sterimol/L: 17.0762 
 
 Surface and Volume Properties
  Accessible surface: 646.08  Positive charged surface: 396.161  Negative charged surface: 238.743  Volume: 359.875
  Hydrophobic surface: 499.342  Hydrophilic surface: 146.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.