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CHEMDIV-ZINC06892606

 MMsINC code: MMs01054187
Type: Neutral
Formula: C26H24N2O3
SMILES:   O(C)c1cc(N2C=C(c3c(cccc3)C2=O)C(=O)NCCc2cc(ccc2)C)ccc1
InChI:   InChI=1/C26H24N2O3/c1-18-7-5-8-19(15-18)13-14-27-25(29)24-17-28(20-9-6-10-21(16-20)31-2)26(30)23-12-4-3-11-22(23)24/h3-12,15-17H,13-14H2,1-2H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.299 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: 0.0625714  Sterimol/B1: 2.35146  Sterimol/B2: 5.39302  Sterimol/B3: 6.05886
  Sterimol/B4: 8.69203  Sterimol/L: 18.9658 
 
 Surface and Volume Properties
  Accessible surface: 729.828  Positive charged surface: 450.477  Negative charged surface: 279.351  Volume: 407.625
  Hydrophobic surface: 655.809  Hydrophilic surface: 74.019
 
 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.