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CHEMBRIDGE-ZINC02821766

 MMsINC code: MMs00718864
Type: Neutral
Formula: C14H23NO3
SMILES:   O(CCCCN(C)C)c1c(OC)cccc1OC
InChI:   InChI=1/C14H23NO3/c1-15(2)10-5-6-11-18-14-12(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)=75.6528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.342 g/mol  logS: -1.83745  SlogP: 2.4244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0426597  Sterimol/B1: 2.24153  Sterimol/B2: 4.0711  Sterimol/B3: 4.93009
  Sterimol/B4: 6.90572  Sterimol/L: 15.8699 
 
 Surface and Volume Properties
  Accessible surface: 538.738  Positive charged surface: 471.308  Negative charged surface: 67.4297  Volume: 267.625
  Hydrophobic surface: 520.457  Hydrophilic surface: 18.281
 
 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


MMs00718865
CHEMBRIDGE-ZINC02821766