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PUBCHEM-ZINC05379775

 MMsINC code: MMs03252216
Type: Neutral
Formula: C20H35NO
SMILES:   O(CCN)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C20H35NO/c1-18(2,3)14-12-15(19(4,5)6)17(22-11-10-21)16(13-14)20(7,8)9/h12-13H,10-11,21H2,1-9H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=279.286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.506 g/mol  logS: -6.55846  SlogP: 4.9166  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156528  Sterimol/B1: 2.33767  Sterimol/B2: 5.31698  Sterimol/B3: 5.97697
  Sterimol/B4: 6.04963  Sterimol/L: 13.516 
 
 Surface and Volume Properties
  Accessible surface: 550.936  Positive charged surface: 409.667  Negative charged surface: 141.27  Volume: 341.625
  Hydrophobic surface: 385.193  Hydrophilic surface: 165.743
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.