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CHEMDIV-ZINC01927090

 MMsINC code: MMs00869592
Type: Neutral
Formula: C27H29N3O4
SMILES:   O(C)c1c(OC)cc(cc1OC)C(=O)NCc1nc2c(n1Cc1cc(ccc1C)C)cccc2
InChI:   InChI=1/C27H29N3O4/c1-17-10-11-18(2)20(12-17)16-30-22-9-7-6-8-21(22)29-25(30)15-28-27(31)19-13-23(32-3)26(34-5)24(14-19)33-4/h6-14H,15-16H2,1-5H3,(H,28,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.098 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 459.546 g/mol  logS: -6.31132  SlogP: 5.19004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.099396  Sterimol/B1: 2.08684  Sterimol/B2: 4.33562  Sterimol/B3: 4.39688
  Sterimol/B4: 11.1168  Sterimol/L: 17.0632 
 
 Surface and Volume Properties
  Accessible surface: 764.438  Positive charged surface: 535.036  Negative charged surface: 229.402  Volume: 451.375
  Hydrophobic surface: 672.573  Hydrophilic surface: 91.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.