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CHEMBRIDGE-ZINC01157580

 MMsINC code: MMs00674761
Type: Neutral
Formula: C24H19FN2O4
SMILES:   Fc1ccccc1C1N(Cc2cccnc2)C(=O)C(=O)C1C(=O)c1ccc(OC)cc1
InChI:   InChI=1/C24H19FN2O4/c1-31-17-10-8-16(9-11-17)22(28)20-21(18-6-2-3-7-19(18)25)27(24(30)23(20)29)14-15-5-4-12-26-13-15/h2-13,20-21H,14H2,1H3/t20-,21+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.3202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.424 g/mol  logS: -4.61606  SlogP: 3.7429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125918  Sterimol/B1: 4.48783  Sterimol/B2: 4.57039  Sterimol/B3: 5.36121
  Sterimol/B4: 7.3842  Sterimol/L: 17.1645 
 
 Surface and Volume Properties
  Accessible surface: 653.92  Positive charged surface: 385.073  Negative charged surface: 268.847  Volume: 378.375
  Hydrophobic surface: 534.616  Hydrophilic surface: 119.304
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00674762
CHEMBRIDGE-ZINC01157580


MMs00674763
CHEMBRIDGE-ZINC01157580


MMs00674764
CHEMBRIDGE-ZINC01157580