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ASINEX-ZINC00844874

 MMsINC code: MMs00189497
Type: Neutral
Formula: C28H19N3O6
SMILES:   Oc1ccc(NC(=O)c2cc(N3C(=O)c4c(ccc(c4)C(=O)Nc4ccc(O)cc4)C3=O)c
cc2)cc1
InChI:   InChI=1/C28H19N3O6/c32-21-9-5-18(6-10-21)29-25(34)16-2-1-3-20(14-16)31-27(36)23-13-4-17(15-24(23)28(31)37)26(35)30-19-7-11-22(33)12-8-19/h1-15,32-33H,(H,29,34)(H,30,35)

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Potential Energy
Epot(MMFF94)=155.109 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 493.475 g/mol  logS: -6.97467  SlogP: 4.403  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00648018  Sterimol/B1: 2.55337  Sterimol/B2: 2.82158  Sterimol/B3: 2.87693
  Sterimol/B4: 7.96307  Sterimol/L: 26.4276 
 
 Surface and Volume Properties
  Accessible surface: 774.04  Positive charged surface: 413.427  Negative charged surface: 360.613  Volume: 438.5
  Hydrophobic surface: 528.409  Hydrophilic surface: 245.631
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.