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ENAMINE-ZINC03383828

 MMsINC code: MMs01408846
Type: Neutral
Formula: C19H25NO
SMILES:   OC(CN(Cc1ccc(cc1)C(C)C)C)c1ccccc1
InChI:   InChI=1/C19H25NO/c1-15(2)17-11-9-16(10-12-17)13-20(3)14-19(21)18-7-5-4-6-8-18/h4-12,15,19,21H,13-14H2,1-3H3/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.4383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.415 g/mol  logS: -4.32605  SlogP: 4.3373  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.071371  Sterimol/B1: 2.31345  Sterimol/B2: 2.96589  Sterimol/B3: 4.21156
  Sterimol/B4: 5.95565  Sterimol/L: 18.1003 
 
 Surface and Volume Properties
  Accessible surface: 569.746  Positive charged surface: 382.492  Negative charged surface: 187.254  Volume: 310.125
  Hydrophobic surface: 490.399  Hydrophilic surface: 79.347
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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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Ions/Tautomers related molecules


MMs01408847
ENAMINE-ZINC03383828