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CHEMDIV-ZINC01211610

 MMsINC code: MMs00864361
Type: Neutral
Formula: C24H22N2O4
SMILES:   OC(=O)C(NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C)Cc1ccccc1
InChI:   InChI=1/C24H22N2O4/c1-16-11-13-18(14-12-16)22(27)25-20-10-6-5-9-19(20)23(28)26-21(24(29)30)15-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,25,27)(H,26,28)(H,29,30)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.95 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.45 g/mol  logS: -5.80013  SlogP: 3.67299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172063  Sterimol/B1: 2.4133  Sterimol/B2: 5.21254  Sterimol/B3: 5.86082
  Sterimol/B4: 9.54564  Sterimol/L: 16.2578 
 
 Surface and Volume Properties
  Accessible surface: 690.158  Positive charged surface: 382.27  Negative charged surface: 307.888  Volume: 388.25
  Hydrophobic surface: 556.059  Hydrophilic surface: 134.099
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00864362
CHEMDIV-ZINC01211610