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CHEMDIV-ZINC02472552

 MMsINC code: MMs00879584
Type: Neutral
Formula: C24H14N4O3
SMILES:   o1c2c(nc1-c1ccncc1)cc(Oc1cc3nc(oc3cc1)-c1ccncc1)cc2
InChI:   InChI=1/C24H14N4O3/c1-3-21-19(27-23(30-21)15-5-9-25-10-6-15)13-17(1)29-18-2-4-22-20(14-18)28-24(31-22)16-7-11-26-12-8-16/h1-14H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.6134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.401 g/mol  logS: -7.28265  SlogP: 5.8853  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0575079  Sterimol/B1: 2.52667  Sterimol/B2: 3.47293  Sterimol/B3: 5.34763
  Sterimol/B4: 9.89152  Sterimol/L: 19.594 
 
 Surface and Volume Properties
  Accessible surface: 686.517  Positive charged surface: 452.033  Negative charged surface: 234.485  Volume: 369.375
  Hydrophobic surface: 576.59  Hydrophilic surface: 109.927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.