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NCID-ZINC01677715

 MMsINC code: MMs02312676
Type: Neutral
Formula: C26H34O2
SMILES:   Oc1ccc(cc1CC(C)=C)C(C(CC)c1cc(CC(C)=C)c(O)cc1)CC
InChI:   InChI=1/C26H34O2/c1-7-23(19-9-11-25(27)21(15-19)13-17(3)4)24(8-2)20-10-12-26(28)22(16-20)14-18(5)6/h9-12,15-16,23-24,27-28H,3,5,7-8,13-14H2,1-2,4,6H3/t23-,24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.556 g/mol  logS: -8.19028  SlogP: 7.02234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189145  Sterimol/B1: 2.29386  Sterimol/B2: 2.71985  Sterimol/B3: 5.59906
  Sterimol/B4: 7.89976  Sterimol/L: 14.9235 
 
 Surface and Volume Properties
  Accessible surface: 636.6  Positive charged surface: 424.922  Negative charged surface: 211.679  Volume: 415.75
  Hydrophobic surface: 464.677  Hydrophilic surface: 171.923
 
 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.