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PUBCHEM-ZINC00481007

 MMsINC code: MMs02689912
Type: Neutral
Formula: C19H26N2O3
SMILES:   O(C(C)(C)C)c1nc(OC(C)(C)C)ncc1-c1cc(OC)ccc1
InChI:   InChI=1/C19H26N2O3/c1-18(2,3)23-16-15(13-9-8-10-14(11-13)22-7)12-20-17(21-16)24-19(4,5)6/h8-12H,1-7H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.428 g/mol  logS: -5.74152  SlogP: 4.5068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0929689  Sterimol/B1: 2.30887  Sterimol/B2: 3.65535  Sterimol/B3: 5.21127
  Sterimol/B4: 7.89226  Sterimol/L: 15.9267 
 
 Surface and Volume Properties
  Accessible surface: 612.596  Positive charged surface: 432.049  Negative charged surface: 175.186  Volume: 339.875
  Hydrophobic surface: 481.889  Hydrophilic surface: 130.707
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: no related molecules available.