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PUBCHEM-ZINC05783056

MMsINC code: MMs03384162

Type: Neutral
Formula: C24H26O2
SMILES:   OC(C)(c1ccccc1C)c1cc(ccc1)C(O)(C)c1ccccc1C
InChI:   InChI=1/C24H26O2/c1-17-10-5-7-14-21(17)23(3,25)19-12-9-13-20(16-19)24(4,26)22-15-8-6-11-18(22)2/h5-16,25-26H,1-4H3/t23-,24+

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=157.211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.47 g/mol  logS: -6.06498  SlogP: 5.43804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120266  Sterimol/B1: 2.72534  Sterimol/B2: 3.05653  Sterimol/B3: 5.71481
  Sterimol/B4: 6.43809  Sterimol/L: 15.9379 
 
 Surface and Volume Properties
  Accessible surface: 574.321  Positive charged surface: 342.943  Negative charged surface: 231.377  Volume: 360.875
  Hydrophobic surface: 493.988  Hydrophilic surface: 80.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.