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PUBCHEM-ZINC02981124

 MMsINC code: MMs02973344
Type: Neutral
Formula: C15H25NO3
SMILES:   O(CCOCCNC(C)(C)C)c1cc(OC)ccc1
InChI:   InChI=1/C15H25NO3/c1-15(2,3)16-8-9-18-10-11-19-14-7-5-6-13(12-14)17-4/h5-7,12,16H,8-11H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.4902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.369 g/mol  logS: -2.37685  SlogP: 2.4787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0752674  Sterimol/B1: 2.37529  Sterimol/B2: 3.12718  Sterimol/B3: 4.31615
  Sterimol/B4: 7.06689  Sterimol/L: 16.728 
 
 Surface and Volume Properties
  Accessible surface: 577.522  Positive charged surface: 440.311  Negative charged surface: 137.211  Volume: 287
  Hydrophobic surface: 489.885  Hydrophilic surface: 87.637
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02973345
PUBCHEM-ZINC02981124