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ASINEX-ZINC00676638

 MMsINC code: MMs00148154
Type: Neutral
Formula: C24H19FN2O4
SMILES:   Fc1ccc(cc1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1cc(OC)ccc1
InChI:   InChI=1/C24H19FN2O4/c1-31-19-6-2-5-17(12-19)21-20(22(28)16-7-9-18(25)10-8-16)23(29)24(30)27(21)14-15-4-3-11-26-13-15/h2-13,20-21H,14H2,1H3/t20-,21+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.2181 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: 0.225246  Sterimol/B1: 1.98666  Sterimol/B2: 2.61921  Sterimol/B3: 6.03859
  Sterimol/B4: 11.5368  Sterimol/L: 15.3678 
 
 Surface and Volume Properties
  Accessible surface: 660.332  Positive charged surface: 384.818  Negative charged surface: 275.514  Volume: 380.375
  Hydrophobic surface: 542.139  Hydrophilic surface: 118.193
 
 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


MMs00148155
ASINEX-ZINC00676638


MMs00148156
ASINEX-ZINC00676638


MMs00148157
ASINEX-ZINC00676638


MMs00148158
ASINEX-ZINC00676638