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NCID-ZINC01617247

 MMsINC code: MMs02266465
Type: Neutral
Formula: C28H26O2
SMILES:   O1c2c(CC3(Cc4c5c(ccc4OC13C)cccc5)C(C)C)c1c(cc2)cccc1
InChI:   InChI=1/C28H26O2/c1-18(2)28-16-23-21-10-6-4-8-19(21)12-14-25(23)29-27(28,3)30-26-15-13-20-9-5-7-11-22(20)24(26)17-28/h4-15,18H,16-17H2,1-3H3/t27-,28-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=181.021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.514 g/mol  logS: -9.09519  SlogP: 6.92154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0999143  Sterimol/B1: 2.57504  Sterimol/B2: 3.64323  Sterimol/B3: 6.17347
  Sterimol/B4: 6.20871  Sterimol/L: 17.4268 
 
 Surface and Volume Properties
  Accessible surface: 612.928  Positive charged surface: 339.221  Negative charged surface: 256.824  Volume: 390.5
  Hydrophobic surface: 555.277  Hydrophilic surface: 57.651
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.