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CHEMBLOCK-ZINC03089133

 MMsINC code: MMs00536028
Type: Neutral
Formula: C24H24N2O3
SMILES:   O(Cc1ccc(cc1)C(=O)N\N=C\c1ccc(OCC)cc1)c1ccc(cc1)C
InChI:   InChI=1/C24H24N2O3/c1-3-28-22-14-8-19(9-15-22)16-25-26-24(27)21-10-6-20(7-11-21)17-29-23-12-4-18(2)5-13-23/h4-16H,3,17H2,1-2H3,(H,26,27)/b25-16+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -6.20794  SlogP: 5.00302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.016272  Sterimol/B1: 3.57907  Sterimol/B2: 3.68155  Sterimol/B3: 3.72181
  Sterimol/B4: 5.24295  Sterimol/L: 26.3491 
 
 Surface and Volume Properties
  Accessible surface: 749.052  Positive charged surface: 451.972  Negative charged surface: 297.08  Volume: 391.625
  Hydrophobic surface: 633.914  Hydrophilic surface: 115.138
 
 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: 1
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Ions/Tautomers related molecules


MMs00536029
CHEMBLOCK-ZINC03089133