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NCID-ZINC01584710

 MMsINC code: MMs02241288
Type: Neutral
Formula: C30H22N2O2
SMILES:   o1c2c(nc1C1C(C(C1c1ccccc1)c1oc3c(n1)cccc3)c1ccccc1)cccc2
InChI:   InChI=1/C30H22N2O2/c1-3-11-19(12-4-1)25-27(29-31-21-15-7-9-17-23(21)33-29)26(20-13-5-2-6-14-20)28(25)30-32-22-16-8-10-18-24(22)34-30/h1-18,25-28H/t25-,26-,27-,28+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.78 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.518 g/mol  logS: -7.47876  SlogP: 7.4176  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.198915  Sterimol/B1: 2.47335  Sterimol/B2: 4.41321  Sterimol/B3: 4.49671
  Sterimol/B4: 11.9533  Sterimol/L: 17.125 
 
 Surface and Volume Properties
  Accessible surface: 704.236  Positive charged surface: 372.608  Negative charged surface: 297.234  Volume: 424.125
  Hydrophobic surface: 652.848  Hydrophilic surface: 51.388
 
 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.