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ASINEX-ZINC01719739

 MMsINC code: MMs00255902
Type: Neutral
Formula: C16H23NO3
SMILES:   OC(=O)c1ccccc1C(=O)N(CCCC)CCCC
InChI:   InChI=1/C16H23NO3/c1-3-5-11-17(12-6-4-2)15(18)13-9-7-8-10-14(13)16(19)20/h7-10H,3-6,11-12H2,1-2H3,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.8377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.364 g/mol  logS: -3.48282  SlogP: 3.4272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.212882  Sterimol/B1: 2.3364  Sterimol/B2: 4.16155  Sterimol/B3: 5.52516
  Sterimol/B4: 8.16702  Sterimol/L: 14.3847 
 
 Surface and Volume Properties
  Accessible surface: 542.025  Positive charged surface: 373.073  Negative charged surface: 168.951  Volume: 287.875
  Hydrophobic surface: 400.084  Hydrophilic surface: 141.941
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00255903
ASINEX-ZINC01719739