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CHEMBRIDGE-ZINC02876359

 MMsINC code: MMs00732006
Type: Neutral
Formula: C15H23NO3
SMILES:   O(C)c1ccc(cc1)CC(=O)NCCCOC(C)C
InChI:   InChI=1/C15H23NO3/c1-12(2)19-10-4-9-16-15(17)11-13-5-7-14(18-3)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.5416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.353 g/mol  logS: -2.64169  SlogP: 2.16897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0412337  Sterimol/B1: 2.45944  Sterimol/B2: 3.33503  Sterimol/B3: 3.84187
  Sterimol/B4: 5.02169  Sterimol/L: 19.8432 
 
 Surface and Volume Properties
  Accessible surface: 580.596  Positive charged surface: 435.41  Negative charged surface: 145.186  Volume: 279.75
  Hydrophobic surface: 479.278  Hydrophilic surface: 101.318
 
 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: no related molecules available.