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NCID-ZINC05064446

 MMsINC code: MMs02435825
Type: Neutral
Formula: C23H26O4
SMILES:   O(C)c1ccc(cc1)C1(c2c(cccc2)C(=O)C(C)(C)C1(CC(O)=O)C)C
InChI:   InChI=1/C23H26O4/c1-21(2)20(26)17-8-6-7-9-18(17)23(4,22(21,3)14-19(24)25)15-10-12-16(27-5)13-11-15/h6-13H,14H2,1-5H3,(H,24,25)/t22-,23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=242.294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.457 g/mol  logS: -5.14994  SlogP: 4.7047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.323243  Sterimol/B1: 4.09344  Sterimol/B2: 4.50783  Sterimol/B3: 4.82803
  Sterimol/B4: 7.30471  Sterimol/L: 14.1308 
 
 Surface and Volume Properties
  Accessible surface: 548.245  Positive charged surface: 349.397  Negative charged surface: 198.848  Volume: 352.375
  Hydrophobic surface: 402.872  Hydrophilic surface: 145.373
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02435826
NCID-ZINC05064446