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CHEMSTAR-ZINC04157025

 MMsINC code: MMs01109688
Type: Neutral
Formula: C26H19Br2NO2
SMILES:   BrC12C3C(C(Br)(c4c1cccc4)c1c2cccc1)C(=O)N(c1c(cccc1C)C)C3=O
InChI:   InChI=1/C26H19Br2NO2/c1-14-8-7-9-15(2)22(14)29-23(30)20-21(24(29)31)26(28)17-11-4-3-10-16(17)25(20,27)18-12-5-6-13-19(18)26/h3-13,20-21H,1-2H3/t20-,21-,25-,26+/m0/s1

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Potential Energy
Epot(MMFF94)=225.815 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 537.251 g/mol  logS: -7.81869  SlogP: 6.33624  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.156512  Sterimol/B1: 3.93026  Sterimol/B2: 5.24467  Sterimol/B3: 5.682
  Sterimol/B4: 7.24167  Sterimol/L: 15.4207 
 
 Surface and Volume Properties
  Accessible surface: 635.735  Positive charged surface: 268.904  Negative charged surface: 366.832  Volume: 415.5
  Hydrophobic surface: 480.983  Hydrophilic surface: 154.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.