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NCID-ZINC01712534

 MMsINC code: MMs02339215
Type: Neutral
Formula: C26H30O
SMILES:   O=C/1/C(/CCC\C\1=C/c1ccc(cc1)C(C)C)=C/c1ccc(cc1)C(C)C
InChI:   InChI=1/C26H30O/c1-18(2)22-12-8-20(9-13-22)16-24-6-5-7-25(26(24)27)17-21-10-14-23(15-11-21)19(3)4/h8-19H,5-7H2,1-4H3/b24-16-,25-17+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.525 g/mol  logS: -7.92513  SlogP: 7.1534  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.045912  Sterimol/B1: 2.92182  Sterimol/B2: 2.9364  Sterimol/B3: 4.23102
  Sterimol/B4: 8.48033  Sterimol/L: 17.8814 
 
 Surface and Volume Properties
  Accessible surface: 675.23  Positive charged surface: 438.759  Negative charged surface: 236.471  Volume: 393
  Hydrophobic surface: 570.077  Hydrophilic surface: 105.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.