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ASINEX-ZINC04321156

 MMsINC code: MMs00325677
Type: Neutral
Formula: C30H43N
SMILES:   n1cc(ccc1-c1ccc(cc1)C1CCC(CC1)CCCCC)C1CCC(CC1)CC
InChI:   InChI=1/C30H43N/c1-3-5-6-7-24-10-14-25(15-11-24)26-16-18-28(19-17-26)30-21-20-29(22-31-30)27-12-8-23(4-2)9-13-27/h16-25,27H,3-15H2,1-2H3/t23-,24-,25+,27+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.681 g/mol  logS: -11.711  SlogP: 9.2865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0312257  Sterimol/B1: 2.05946  Sterimol/B2: 3.50187  Sterimol/B3: 4.29239
  Sterimol/B4: 9.34729  Sterimol/L: 22.7314 
 
 Surface and Volume Properties
  Accessible surface: 792.558  Positive charged surface: 580.764  Negative charged surface: 206.117  Volume: 471.125
  Hydrophobic surface: 733.31  Hydrophilic surface: 59.248
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.