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CHEMDIV-ZINC04645935

 MMsINC code: MMs00939481
Type: Neutral
Formula: C30H43N
SMILES:   n1cc(ccc1-c1ccc(cc1)CCC1CCC(CC1)CCC)C1CCC(CC1)CC
InChI:   InChI=1/C30H43N/c1-3-5-24-6-8-25(9-7-24)10-11-26-14-18-28(19-15-26)30-21-20-29(22-31-30)27-16-12-23(4-2)13-17-27/h14-15,18-25,27H,3-13,16-17H2,1-2H3/t23-,24-,25-,27+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.0603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.681 g/mol  logS: -11.711  SlogP: 8.97147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.020032  Sterimol/B1: 3.56954  Sterimol/B2: 3.72678  Sterimol/B3: 3.72858
  Sterimol/B4: 5.53951  Sterimol/L: 25.9243 
 
 Surface and Volume Properties
  Accessible surface: 799.271  Positive charged surface: 581.833  Negative charged surface: 211.869  Volume: 469.75
  Hydrophobic surface: 741.813  Hydrophilic surface: 57.458
 
 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.