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CHEMBRIDGE-ZINC02983155

 MMsINC code: MMs00744937
Type: Neutral
Formula: C19H20N2O4
SMILES:   OC(=O)C(NC(=O)C(NC(=O)c1ccccc1)Cc1ccccc1)C
InChI:   InChI=1/C19H20N2O4/c1-13(19(24)25)20-18(23)16(12-14-8-4-2-5-9-14)21-17(22)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,20,23)(H,21,22)(H,24,25)/t13-,16+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.5505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.379 g/mol  logS: -3.856  SlogP: 1.61697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0737177  Sterimol/B1: 2.10816  Sterimol/B2: 4.49446  Sterimol/B3: 4.51627
  Sterimol/B4: 7.58597  Sterimol/L: 16.322 
 
 Surface and Volume Properties
  Accessible surface: 593.057  Positive charged surface: 344.383  Negative charged surface: 248.674  Volume: 326.125
  Hydrophobic surface: 427.125  Hydrophilic surface: 165.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00744938
CHEMBRIDGE-ZINC02983155