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ASINEX-ZINC02896665

 MMsINC code: MMs00280454
Type: Neutral
Formula: C26H18N2O2
SMILES:   OC(=O)c1ccc(cc1)-c1[nH]c(c(n1)-c1c2c(ccc1)cccc2)-c1ccccc1
InChI:   InChI=1/C26H18N2O2/c29-26(30)20-15-13-19(14-16-20)25-27-23(18-8-2-1-3-9-18)24(28-25)22-12-6-10-17-7-4-5-11-21(17)22/h1-16H,(H,27,28)(H,29,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.8235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.442 g/mol  logS: -9.3124  SlogP: 6.2621  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0566066  Sterimol/B1: 2.6593  Sterimol/B2: 2.82395  Sterimol/B3: 4.55022
  Sterimol/B4: 11.0529  Sterimol/L: 17.0592 
 
 Surface and Volume Properties
  Accessible surface: 654.973  Positive charged surface: 355.388  Negative charged surface: 292.376  Volume: 378.125
  Hydrophobic surface: 539.087  Hydrophilic surface: 115.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00280455
ASINEX-ZINC02896665