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PUBCHEM-ZINC02982479

 MMsINC code: MMs02973903
Type: Neutral
Formula: C26H23NO4
SMILES:   O(C)c1ccc(cc1)C(NC(=O)c1ccc(OC)cc1)c1c2c(ccc1O)cccc2
InChI:   InChI=1/C26H23NO4/c1-30-20-12-7-18(8-13-20)25(27-26(29)19-9-14-21(31-2)15-10-19)24-22-6-4-3-5-17(22)11-16-23(24)28/h3-16,25,28H,1-2H3,(H,27,29)/t25-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.473 g/mol  logS: -6.6835  SlogP: 5.1775  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149544  Sterimol/B1: 2.42786  Sterimol/B2: 4.25525  Sterimol/B3: 4.94428
  Sterimol/B4: 12.1652  Sterimol/L: 16.4015 
 
 Surface and Volume Properties
  Accessible surface: 692.406  Positive charged surface: 430.447  Negative charged surface: 253.238  Volume: 402.5
  Hydrophobic surface: 625.054  Hydrophilic surface: 67.352
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.