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PUBCHEM-ZINC01845204

 MMsINC code: MMs02823639
Type: Neutral
Formula: C18H19NO3
SMILES:   OC(=O)C(NC(=O)CCc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C18H19NO3/c20-17(12-11-14-7-3-1-4-8-14)19-16(18(21)22)13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)(H,21,22)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.4426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.354 g/mol  logS: -3.29961  SlogP: 2.43124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0653529  Sterimol/B1: 3.10286  Sterimol/B2: 3.78464  Sterimol/B3: 4.96402
  Sterimol/B4: 6.87364  Sterimol/L: 14.9507 
 
 Surface and Volume Properties
  Accessible surface: 571.18  Positive charged surface: 327.728  Negative charged surface: 243.452  Volume: 296.375
  Hydrophobic surface: 452.712  Hydrophilic surface: 118.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02823640
PUBCHEM-ZINC01845204