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NCID-ZINC01706698

 MMsINC code: MMs02335136
Type: Neutral
Formula: C23H29NO2
SMILES:   OC(=O)CCn1c2c(cc(cc2)C(C)(C)C)c2cc(ccc12)C(C)(C)C
InChI:   InChI=1/C23H29NO2/c1-22(2,3)15-7-9-19-17(13-15)18-14-16(23(4,5)6)8-10-20(18)24(19)12-11-21(25)26/h7-10,13-14H,11-12H2,1-6H3,(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.49 g/mol  logS: -7.33239  SlogP: 6.1306  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0805504  Sterimol/B1: 3.45902  Sterimol/B2: 3.73625  Sterimol/B3: 3.93544
  Sterimol/B4: 10.0112  Sterimol/L: 15.4111 
 
 Surface and Volume Properties
  Accessible surface: 642.539  Positive charged surface: 399.652  Negative charged surface: 231.819  Volume: 373.375
  Hydrophobic surface: 440.651  Hydrophilic surface: 201.888
 
 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


MMs02335137
NCID-ZINC01706698