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CHEMBRIDGE-ZINC02880970

 MMsINC code: MMs00733833
Type: Neutral
Formula: C14H23NO4
SMILES:   O(CCCNCC(O)C)c1c(OC)cccc1OC
InChI:   InChI=1/C14H23NO4/c1-11(16)10-15-8-5-9-19-14-12(17-2)6-4-7-13(14)18-3/h4,6-7,11,15-16H,5,8-10H2,1-3H3/t11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.2795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.341 g/mol  logS: -1.6294  SlogP: 1.4431  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0340746  Sterimol/B1: 2.12597  Sterimol/B2: 3.61577  Sterimol/B3: 5.80032
  Sterimol/B4: 6.0574  Sterimol/L: 17.2139 
 
 Surface and Volume Properties
  Accessible surface: 571.269  Positive charged surface: 465.6  Negative charged surface: 105.669  Volume: 275.875
  Hydrophobic surface: 469.531  Hydrophilic surface: 101.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00733834
CHEMBRIDGE-ZINC02880970