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CHEMBRIDGE-ZINC05023652

 MMsINC code: MMs00828324
Type: Neutral
Formula: C14H21NO4
SMILES:   O1CCN(CC1)CCOc1c(OC)cccc1OC
InChI:   InChI=1/C14H21NO4/c1-16-12-4-3-5-13(17-2)14(12)19-11-8-15-6-9-18-10-7-15/h3-5H,6-11H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.325 g/mol  logS: -1.72539  SlogP: 1.4148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0711318  Sterimol/B1: 1.969  Sterimol/B2: 3.41047  Sterimol/B3: 3.4171
  Sterimol/B4: 8.84037  Sterimol/L: 13.4377 
 
 Surface and Volume Properties
  Accessible surface: 506.768  Positive charged surface: 437.929  Negative charged surface: 68.8388  Volume: 268.125
  Hydrophobic surface: 482.315  Hydrophilic surface: 24.453
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs00828325
CHEMBRIDGE-ZINC05023652