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MDPI-ZINC03845546

MMsINC code: MMs02178881

Type: Neutral
Formula: C32H30N4
SMILES:   n1c2c(ccc1\C=C\c1ccc(N(C)C)cc1)cc1c(nc(cc1)\C=C\c1ccc(N(C)C)
cc1)c2
InChI:   InChI=1/C32H30N4/c1-35(2)29-17-7-23(8-18-29)5-13-27-15-11-25-21-26-12-16-28(34-32(26)22-31(25)33-27)14-6-24-9-19-30(20-10-24)36(3)4/h5-22H,1-4H3/b13-5+,14-6+

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=167.99 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.62 g/mol  logS: -7.21718  SlogP: 7.2558  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00198026  Sterimol/B1: 1.969  Sterimol/B2: 2.51935  Sterimol/B3: 2.54071
  Sterimol/B4: 11.2384  Sterimol/L: 26.0547 
 
 Surface and Volume Properties
  Accessible surface: 853.839  Positive charged surface: 562.648  Negative charged surface: 280.571  Volume: 494
  Hydrophobic surface: 814.486  Hydrophilic surface: 39.353
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.