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ASINEX-ZINC04477905

 MMsINC code: MMs00340192
Type: Neutral
Formula: C23H16N2O2
SMILES:   O(C)c1ccc(cc1)-c1c2nc3c(nc2c2c(cccc2)c1O)cccc3
InChI:   InChI=1/C23H16N2O2/c1-27-15-12-10-14(11-13-15)20-22-21(16-6-2-3-7-17(16)23(20)26)24-18-8-4-5-9-19(18)25-22/h2-13,26H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.393 g/mol  logS: -6.49225  SlogP: 5.3174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0488623  Sterimol/B1: 2.58562  Sterimol/B2: 4.35847  Sterimol/B3: 6.38377
  Sterimol/B4: 7.25005  Sterimol/L: 16.148 
 
 Surface and Volume Properties
  Accessible surface: 597.237  Positive charged surface: 362.435  Negative charged surface: 222.569  Volume: 336.875
  Hydrophobic surface: 521.267  Hydrophilic surface: 75.97
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.