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CHEMDIV-ZINC04111142

 MMsINC code: MMs00927108
Type: Neutral
Formula: C14H22N2O3
SMILES:   O(CCCNC(=O)c1[nH]c(C)c(C(=O)C)c1C)CC
InChI:   InChI=1/C14H22N2O3/c1-5-19-8-6-7-15-14(18)13-9(2)12(11(4)17)10(3)16-13/h16H,5-8H2,1-4H3,(H,15,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.4383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.341 g/mol  logS: -1.5849  SlogP: 1.99054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0222057  Sterimol/B1: 3.11781  Sterimol/B2: 3.30604  Sterimol/B3: 3.89719
  Sterimol/B4: 5.37032  Sterimol/L: 18.8138 
 
 Surface and Volume Properties
  Accessible surface: 566.082  Positive charged surface: 396.364  Negative charged surface: 169.718  Volume: 274
  Hydrophobic surface: 436.166  Hydrophilic surface: 129.916
 
 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: no related molecules available.