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PUBCHEM-ZINC05284504

 MMsINC code: MMs03232498
Type: Neutral
Formula: C20H41NO
SMILES:   O=CNC(CC(CC(CC(CC(C)C)(C)C)(C)C)(C)C)(C)C
InChI:   InChI=1/C20H41NO/c1-16(2)11-17(3,4)12-18(5,6)13-19(7,8)14-20(9,10)21-15-22/h15-16H,11-14H2,1-10H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=423.957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.554 g/mol  logS: -8.05587  SlogP: 5.806  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109717  Sterimol/B1: 2.13477  Sterimol/B2: 3.44074  Sterimol/B3: 4.91241
  Sterimol/B4: 5.95344  Sterimol/L: 15.2779 
 
 Surface and Volume Properties
  Accessible surface: 559.807  Positive charged surface: 397.793  Negative charged surface: 162.014  Volume: 348.625
  Hydrophobic surface: 374.952  Hydrophilic surface: 184.855
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.