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CHEMDIV-ZINC00196904

 MMsINC code: MMs00837994
Type: Neutral
Formula: C19H20N2O4
SMILES:   OC(=O)c1cc(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1
InChI:   InChI=1/C19H20N2O4/c1-19(2,3)18(25)21-14-9-7-12(8-10-14)16(22)20-15-6-4-5-13(11-15)17(23)24/h4-11H,1-3H3,(H,20,22)(H,21,25)(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.7069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.379 g/mol  logS: -4.13903  SlogP: 3.6217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0266733  Sterimol/B1: 2.46506  Sterimol/B2: 3.3914  Sterimol/B3: 4.7253
  Sterimol/B4: 5.25671  Sterimol/L: 19.1611 
 
 Surface and Volume Properties
  Accessible surface: 613.326  Positive charged surface: 356.309  Negative charged surface: 257.017  Volume: 324
  Hydrophobic surface: 402.624  Hydrophilic surface: 210.702
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00837995
CHEMDIV-ZINC00196904