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CHEMDIV-ZINC06892626

 MMsINC code: MMs01054206
Type: Neutral
Formula: C26H24N2O3
SMILES:   O(C)c1cc(N2C=C(c3c(cccc3)C2=O)C(=O)NCCc2ccc(cc2)C)ccc1
InChI:   InChI=1/C26H24N2O3/c1-18-10-12-19(13-11-18)14-15-27-25(29)24-17-28(20-6-5-7-21(16-20)31-2)26(30)23-9-4-3-8-22(23)24/h3-13,16-17H,14-15H2,1-2H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.39 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.489 g/mol  logS: -6.17968  SlogP: 4.36379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0461663  Sterimol/B1: 3.5515  Sterimol/B2: 4.23162  Sterimol/B3: 5.35148
  Sterimol/B4: 8.82177  Sterimol/L: 19.571 
 
 Surface and Volume Properties
  Accessible surface: 735.368  Positive charged surface: 452.776  Negative charged surface: 282.592  Volume: 406.875
  Hydrophobic surface: 660.852  Hydrophilic surface: 74.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.