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NCID-ZINC05607150

 MMsINC code: MMs02479912
Type: Neutral
Formula: C19H25NO
SMILES:   OC(CCN(CC(C)c1ccccc1)C)c1ccccc1
InChI:   InChI=1/C19H25NO/c1-16(17-9-5-3-6-10-17)15-20(2)14-13-19(21)18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3/t16-,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.415 g/mol  logS: -3.2867  SlogP: 3.9411  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106992  Sterimol/B1: 3.10231  Sterimol/B2: 3.1929  Sterimol/B3: 4.20296
  Sterimol/B4: 7.30728  Sterimol/L: 15.351 
 
 Surface and Volume Properties
  Accessible surface: 568.019  Positive charged surface: 376.375  Negative charged surface: 191.644  Volume: 312.875
  Hydrophobic surface: 512.712  Hydrophilic surface: 55.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02479913
NCID-ZINC05607150