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CHEMDIV-ZINC02741884

 MMsINC code: MMs00887350
Type: Neutral
Formula: C27H26N2O2
SMILES:   O(C)c1ccc(cc1)CCNC(=O)c1cc(nc2c1cccc2)-c1ccc(cc1)CC
InChI:   InChI=1/C27H26N2O2/c1-3-19-8-12-21(13-9-19)26-18-24(23-6-4-5-7-25(23)29-26)27(30)28-17-16-20-10-14-22(31-2)15-11-20/h4-15,18H,3,16-17H2,1-2H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.217 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.517 g/mol  logS: -7.38362  SlogP: 5.44524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0293227  Sterimol/B1: 2.23071  Sterimol/B2: 2.38096  Sterimol/B3: 4.9575
  Sterimol/B4: 12.388  Sterimol/L: 20.6404 
 
 Surface and Volume Properties
  Accessible surface: 750.411  Positive charged surface: 464.433  Negative charged surface: 275.621  Volume: 417
  Hydrophobic surface: 660.981  Hydrophilic surface: 89.43
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.