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CHEMDIV-ZINC04733305

 MMsINC code: MMs00945711
Type: Neutral
Formula: C26H27N3O4
SMILES:   O(C)c1cc2c(cc1OC)C(=O)N(C)C(C2C(=O)N(Cc1ccccc1)C)c1cccnc1
InChI:   InChI=1/C26H27N3O4/c1-28(16-17-9-6-5-7-10-17)26(31)23-19-13-21(32-3)22(33-4)14-20(19)25(30)29(2)24(23)18-11-8-12-27-15-18/h5-15,23-24H,16H2,1-4H3/t23-,24+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.664 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 445.519 g/mol  logS: -3.92845  SlogP: 4.0298  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.314443  Sterimol/B1: 2.48478  Sterimol/B2: 5.31441  Sterimol/B3: 5.98043
  Sterimol/B4: 8.07457  Sterimol/L: 16.2978 
 
 Surface and Volume Properties
  Accessible surface: 694.709  Positive charged surface: 517.518  Negative charged surface: 177.19  Volume: 431.5
  Hydrophobic surface: 609.291  Hydrophilic surface: 85.418
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.