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NCID-ZINC00218370

 MMsINC code: MMs02213756
Type: Neutral
Formula: C14H23NO3
SMILES:   O(CCN(CC)CC)c1c(OC)cccc1OC
InChI:   InChI=1/C14H23NO3/c1-5-15(6-2)10-11-18-14-12(16-3)8-7-9-13(14)17-4/h7-9H,5-6,10-11H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.342 g/mol  logS: -2.08833  SlogP: 2.4244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11797  Sterimol/B1: 2.03881  Sterimol/B2: 4.77095  Sterimol/B3: 5.51308
  Sterimol/B4: 6.49275  Sterimol/L: 13.8034 
 
 Surface and Volume Properties
  Accessible surface: 513.141  Positive charged surface: 422.364  Negative charged surface: 90.7769  Volume: 269.375
  Hydrophobic surface: 464.905  Hydrophilic surface: 48.236
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02213757
NCID-ZINC00218370