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PUBCHEM-ZINC03058815

 MMsINC code: MMs02987804
Type: Neutral
Formula: C19H21NO3
SMILES:   OC(=O)CCCCNC(=O)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H21NO3/c21-17(22)13-7-8-14-20-19(23)18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,18H,7-8,13-14H2,(H,20,23)(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.6372 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.381 g/mol  logS: -3.51624  SlogP: 3.1896  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0883783  Sterimol/B1: 2.49573  Sterimol/B2: 3.42461  Sterimol/B3: 4.50178
  Sterimol/B4: 8.33805  Sterimol/L: 17.6789 
 
 Surface and Volume Properties
  Accessible surface: 601.675  Positive charged surface: 372.335  Negative charged surface: 229.34  Volume: 313.125
  Hydrophobic surface: 470.599  Hydrophilic surface: 131.076
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02987805
PUBCHEM-ZINC03058815