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NCID-ZINC05955677

 MMsINC code: MMs02513178
Type: Neutral
Formula: C30H44O2
SMILES:   OC1(CCCCCCCCC(O)(CCCCCCCC1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C30H44O2/c31-29(27-19-11-9-12-20-27)23-15-5-1-2-6-16-24-30(32,28-21-13-10-14-22-28)26-18-8-4-3-7-17-25-29/h9-14,19-22,31-32H,1-8,15-18,23-26H2/t29-,30-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=228.827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.68 g/mol  logS: -8.60602  SlogP: 8.6402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.370364  Sterimol/B1: 2.50014  Sterimol/B2: 6.08326  Sterimol/B3: 6.09999
  Sterimol/B4: 8.81941  Sterimol/L: 13.5781 
 
 Surface and Volume Properties
  Accessible surface: 643.735  Positive charged surface: 468.968  Negative charged surface: 174.767  Volume: 480.375
  Hydrophobic surface: 585.158  Hydrophilic surface: 58.577
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.