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CHEMBRIDGE-ZINC02830693

 MMsINC code: MMs00721914
Type: Neutral
Formula: C19H20N2O4
SMILES:   OC(=O)CNC(=O)C(NC(=O)c1ccccc1)Cc1ccc(cc1)C
InChI:   InChI=1/C19H20N2O4/c1-13-7-9-14(10-8-13)11-16(19(25)20-12-17(22)23)21-18(24)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3,(H,20,25)(H,21,24)(H,22,23)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.2745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.379 g/mol  logS: -4.00271  SlogP: 1.53689  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0990025  Sterimol/B1: 2.36407  Sterimol/B2: 3.39472  Sterimol/B3: 4.02685
  Sterimol/B4: 10.8142  Sterimol/L: 15.634 
 
 Surface and Volume Properties
  Accessible surface: 618.42  Positive charged surface: 351.276  Negative charged surface: 267.144  Volume: 325.875
  Hydrophobic surface: 448.295  Hydrophilic surface: 170.125
 
 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


MMs00721915
CHEMBRIDGE-ZINC02830693