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OTAVA-ZINC01992838

 MMsINC code: MMs02579063
Type: Neutral
Formula: C26H25NO4
SMILES:   O1c2c(cc(OCC)cc2)/C(=N\c2cc(OC)ccc2OC)/C=C1c1ccc(cc1)C
InChI:   InChI=1/C26H25NO4/c1-5-30-20-11-12-24-21(14-20)22(16-26(31-24)18-8-6-17(2)7-9-18)27-23-15-19(28-3)10-13-25(23)29-4/h6-16H,5H2,1-4H3/b27-22+

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Potential Energy
Epot(MMFF94)=140.401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.489 g/mol  logS: -7.41939  SlogP: 5.96522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0839669  Sterimol/B1: 4.05473  Sterimol/B2: 5.2066  Sterimol/B3: 7.11182
  Sterimol/B4: 7.23523  Sterimol/L: 17.9576 
 
 Surface and Volume Properties
  Accessible surface: 738.16  Positive charged surface: 511.783  Negative charged surface: 226.376  Volume: 412.75
  Hydrophobic surface: 683.229  Hydrophilic surface: 54.931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.