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PUBCHEM-ZINC03748322

 MMsINC code: MMs03068805
Type: Neutral
Formula: C24H20N2O4
SMILES:   O(Cc1ccccc1)c1cc(OCc2ccccc2)ccc1-c1n[nH]c(c1)C(O)=O
InChI:   InChI=1/C24H20N2O4/c27-24(28)22-14-21(25-26-22)20-12-11-19(29-15-17-7-3-1-4-8-17)13-23(20)30-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,26)(H,27,28)

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Potential Energy
Epot(MMFF94)=97.0119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.434 g/mol  logS: -5.97498  SlogP: 5.4657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0506115  Sterimol/B1: 3.61813  Sterimol/B2: 3.61827  Sterimol/B3: 5.52256
  Sterimol/B4: 8.38856  Sterimol/L: 18.3586 
 
 Surface and Volume Properties
  Accessible surface: 713.818  Positive charged surface: 406.27  Negative charged surface: 307.548  Volume: 379.25
  Hydrophobic surface: 540.804  Hydrophilic surface: 173.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs03068806
PUBCHEM-ZINC03748322