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IBS-ZINC06670191

 MMsINC code: MMs01965586
Type: Neutral
Formula: C26H25NO4
SMILES:   o1nc(C)c(c1-c1ccc(OCc2cc(ccc2C)C)cc1O)-c1ccc(OC)cc1
InChI:   InChI=1/C26H25NO4/c1-16-5-6-17(2)20(13-16)15-30-22-11-12-23(24(28)14-22)26-25(18(3)27-31-26)19-7-9-21(29-4)10-8-19/h5-14,28H,15H2,1-4H3

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Potential Energy
Epot(MMFF94)=150.766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.489 g/mol  logS: -7.62073  SlogP: 6.49346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0275254  Sterimol/B1: 3.16079  Sterimol/B2: 3.92144  Sterimol/B3: 4.30807
  Sterimol/B4: 9.22812  Sterimol/L: 18.5327 
 
 Surface and Volume Properties
  Accessible surface: 716.018  Positive charged surface: 454.337  Negative charged surface: 261.681  Volume: 408.375
  Hydrophobic surface: 633.899  Hydrophilic surface: 82.119
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.