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CHEMBRIDGE-ZINC04258162

 MMsINC code: MMs00766730
Type: Neutral
Formula: C19H24N2O3
SMILES:   O(CC(=O)Nc1ccccc1)c1ccccc1CNC(CO)(C)C
InChI:   InChI=1/C19H24N2O3/c1-19(2,14-22)20-12-15-8-6-7-11-17(15)24-13-18(23)21-16-9-4-3-5-10-16/h3-11,20,22H,12-14H2,1-2H3,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.412 g/mol  logS: -3.62407  SlogP: 2.831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0662987  Sterimol/B1: 2.40213  Sterimol/B2: 3.67597  Sterimol/B3: 4.4229
  Sterimol/B4: 9.32447  Sterimol/L: 15.3018 
 
 Surface and Volume Properties
  Accessible surface: 611.656  Positive charged surface: 407.052  Negative charged surface: 204.605  Volume: 333.25
  Hydrophobic surface: 480.978  Hydrophilic surface: 130.678
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00766731
CHEMBRIDGE-ZINC04258162