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PUBCHEM-ZINC05762194

 MMsINC code: MMs03375541
Type: Neutral
Formula: C25H26O2
SMILES:   OC(=O)c1cc2c(cc(cc2)-c2cc3c(cc2)C(CCC3(C)C)(C)C)cc1
InChI:   InChI=1/C25H26O2/c1-24(2)11-12-25(3,4)22-15-19(9-10-21(22)24)17-5-6-18-14-20(23(26)27)8-7-16(18)13-17/h5-10,13-15H,11-12H2,1-4H3,(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.481 g/mol  logS: -9.59566  SlogP: 6.554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0380048  Sterimol/B1: 2.17754  Sterimol/B2: 3.05486  Sterimol/B3: 5.00459
  Sterimol/B4: 6.70498  Sterimol/L: 18.6205 
 
 Surface and Volume Properties
  Accessible surface: 623.834  Positive charged surface: 343.543  Negative charged surface: 255.3  Volume: 372
  Hydrophobic surface: 456.716  Hydrophilic surface: 167.118
 
 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


MMs03375542
PUBCHEM-ZINC05762194