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CHEMBRIDGE-ZINC02932833

 MMsINC code: MMs00742338
Type: Neutral
Formula: C15H25NO3
SMILES:   O(CCCN(CC)CC)c1c(OC)cccc1OC
InChI:   InChI=1/C15H25NO3/c1-5-16(6-2)11-8-12-19-15-13(17-3)9-7-10-14(15)18-4/h7,9-10H,5-6,8,11-12H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.3743 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.369 g/mol  logS: -2.2901  SlogP: 2.8145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0621603  Sterimol/B1: 2.26494  Sterimol/B2: 3.78652  Sterimol/B3: 4.7996
  Sterimol/B4: 7.96918  Sterimol/L: 15.1656 
 
 Surface and Volume Properties
  Accessible surface: 564.18  Positive charged surface: 457.048  Negative charged surface: 107.132  Volume: 287.375
  Hydrophobic surface: 504.706  Hydrophilic surface: 59.474
 
 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


MMs00742339
CHEMBRIDGE-ZINC02932833