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ENAMINE-ZINC03459309

 MMsINC code: MMs01456141
Type: Tautomer
Formula: C20H26N2O3
SMILES:   O(C)c1cc(cc(OC)c1C)C(=O)NCC(N(C)C)c1ccccc1
InChI:   InChI=1/C20H26N2O3/c1-14-18(24-4)11-16(12-19(14)25-5)20(23)21-13-17(22(2)3)15-9-7-6-8-10-15/h6-12,17H,13H2,1-5H3,(H,21,23)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.439 g/mol  logS: -3.45803  SlogP: 3.14042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0540628  Sterimol/B1: 3.63509  Sterimol/B2: 4.20027  Sterimol/B3: 4.99183
  Sterimol/B4: 6.21081  Sterimol/L: 17.3322 
 
 Surface and Volume Properties
  Accessible surface: 636.218  Positive charged surface: 484.155  Negative charged surface: 152.062  Volume: 348.125
  Hydrophobic surface: 591.484  Hydrophilic surface: 44.734
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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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Parent related molecule:


MMs01456140
ENAMINE-ZINC03459309