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NCID-ZINC01561740

 MMsINC code: MMs02223852
Type: Neutral
Formula: C14H22N2O3
SMILES:   O(C(=O)c1c(C)c([nH]c1C)C(=O)CCN(C)C)CC
InChI:   InChI=1/C14H22N2O3/c1-6-19-14(18)12-9(2)13(15-10(12)3)11(17)7-8-16(4)5/h15H,6-8H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.2893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.341 g/mol  logS: -1.24854  SlogP: 1.94264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0536215  Sterimol/B1: 2.06076  Sterimol/B2: 3.71505  Sterimol/B3: 5.11325
  Sterimol/B4: 5.51456  Sterimol/L: 17.604 
 
 Surface and Volume Properties
  Accessible surface: 554.153  Positive charged surface: 414.023  Negative charged surface: 140.13  Volume: 273.25
  Hydrophobic surface: 443.586  Hydrophilic surface: 110.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02223853
NCID-ZINC01561740