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NCID-ZINC04896818

 MMsINC code: MMs02413856
Type: Neutral
Formula: C24H38O2
SMILES:   OC1CCC2(C(CCC3=C2CCC2(C)C3(CCC2C(=O)C)C)C1(C)C)C
InChI:   InChI=1/C24H38O2/c1-15(25)16-9-13-24(6)18-7-8-19-21(2,3)20(26)11-12-22(19,4)17(18)10-14-23(16,24)5/h16,19-20,26H,7-14H2,1-6H3/t16-,19+,20+,22-,23-,24+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=145.116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.566 g/mol  logS: -5.58875  SlogP: 5.6856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126559  Sterimol/B1: 2.73405  Sterimol/B2: 3.75857  Sterimol/B3: 3.94486
  Sterimol/B4: 6.26701  Sterimol/L: 15.7004 
 
 Surface and Volume Properties
  Accessible surface: 565.652  Positive charged surface: 402.05  Negative charged surface: 163.602  Volume: 378
  Hydrophobic surface: 427.579  Hydrophilic surface: 138.073
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.