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CHEMBRIDGE-ZINC02362862

 MMsINC code: MMs00708279
Type: Neutral
Formula: C17H24N2O4
SMILES:   OC(=O)c1cc(NC(=O)CCCC)c(NC(=O)CCCC)cc1
InChI:   InChI=1/C17H24N2O4/c1-3-5-7-15(20)18-13-10-9-12(17(22)23)11-14(13)19-16(21)8-6-4-2/h9-11H,3-8H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.2264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.389 g/mol  logS: -4.2376  SlogP: 3.6422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0213157  Sterimol/B1: 2.50344  Sterimol/B2: 3.11786  Sterimol/B3: 3.16957
  Sterimol/B4: 10.2346  Sterimol/L: 18.0066 
 
 Surface and Volume Properties
  Accessible surface: 625.756  Positive charged surface: 441.849  Negative charged surface: 183.907  Volume: 316.125
  Hydrophobic surface: 413.439  Hydrophilic surface: 212.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00708280
CHEMBRIDGE-ZINC02362862