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ASINEX-ZINC02279325

 MMsINC code: MMs00267398
Type: Neutral
Formula: C18H19NO3
SMILES:   OC(=O)CCCNC(=O)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C18H19NO3/c20-16(21)12-7-13-19-18(22)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17H,7,12-13H2,(H,19,22)(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.9297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.354 g/mol  logS: -3.31447  SlogP: 2.7995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113165  Sterimol/B1: 2.50379  Sterimol/B2: 3.44185  Sterimol/B3: 4.47541
  Sterimol/B4: 8.17301  Sterimol/L: 16.5765 
 
 Surface and Volume Properties
  Accessible surface: 570.938  Positive charged surface: 345.638  Negative charged surface: 225.3  Volume: 296.375
  Hydrophobic surface: 439.927  Hydrophilic surface: 131.011
 
 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


MMs00267399
ASINEX-ZINC02279325