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CHEMDIV-ZINC04970233

 MMsINC code: MMs00975658
Type: Neutral
Formula: C26H23N3O
SMILES:   O(C)c1ccc(-n2nc(c3c2c2cc(ccc2nc3)C)-c2cc(C)c(cc2)C)cc1
InChI:   InChI=1/C26H23N3O/c1-16-5-12-24-22(13-16)26-23(15-27-24)25(19-7-6-17(2)18(3)14-19)28-29(26)20-8-10-21(30-4)11-9-20/h5-15H,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=157.826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.49 g/mol  logS: -7.84133  SlogP: 6.17456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0319611  Sterimol/B1: 3.07989  Sterimol/B2: 3.8317  Sterimol/B3: 4.4813
  Sterimol/B4: 9.09143  Sterimol/L: 16.9597 
 
 Surface and Volume Properties
  Accessible surface: 677.05  Positive charged surface: 420.192  Negative charged surface: 247.289  Volume: 393.625
  Hydrophobic surface: 628.889  Hydrophilic surface: 48.161
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.