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ENAMINE-ZINC03584147

 MMsINC code: MMs01517884
Type: Neutral
Formula: C24H24N2O4
SMILES:   o1c2cc(NC(=O)CN(Cc3cc(OC)ccc3)C)c(OC)cc2c2c1cccc2
InChI:   InChI=1/C24H24N2O4/c1-26(14-16-7-6-8-17(11-16)28-2)15-24(27)25-20-13-22-19(12-23(20)29-3)18-9-4-5-10-21(18)30-22/h4-13H,14-15H2,1-3H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -6.64553  SlogP: 4.9401  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0395094  Sterimol/B1: 2.48076  Sterimol/B2: 5.8185  Sterimol/B3: 6.06091
  Sterimol/B4: 6.58268  Sterimol/L: 20.9633 
 
 Surface and Volume Properties
  Accessible surface: 705.1  Positive charged surface: 496.172  Negative charged surface: 198.152  Volume: 391
  Hydrophobic surface: 633.795  Hydrophilic surface: 71.305
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01517885
ENAMINE-ZINC03584147