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CHEMBRIDGE-ZINC04913495

 MMsINC code: MMs00810985
Type: Neutral
Formula: C19H25NO
SMILES:   O(CCN(C)C)c1ccc(cc1)C(C)(C)c1ccccc1
InChI:   InChI=1/C19H25NO/c1-19(2,16-8-6-5-7-9-16)17-10-12-18(13-11-17)21-15-14-20(3)4/h5-13H,14-15H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.415 g/mol  logS: -4.47997  SlogP: 3.9529  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0921963  Sterimol/B1: 2.40294  Sterimol/B2: 2.96399  Sterimol/B3: 4.61414
  Sterimol/B4: 7.04283  Sterimol/L: 16.0153 
 
 Surface and Volume Properties
  Accessible surface: 567.997  Positive charged surface: 417.626  Negative charged surface: 150.371  Volume: 312.75
  Hydrophobic surface: 531.515  Hydrophilic surface: 36.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00810986
CHEMBRIDGE-ZINC04913495