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NCID-ZINC05606084

 MMsINC code: MMs02479690
Type: Neutral
Formula: C24H34O4
SMILES:   O=C1C=C2CCC3C4CCC(C(=O)COC(=O)C)C4(CCC3C2(CC1C)C)C
InChI:   InChI=1/C24H34O4/c1-14-12-24(4)16(11-21(14)26)5-6-17-18-7-8-20(22(27)13-28-15(2)25)23(18,3)10-9-19(17)24/h11,14,17-20H,5-10,12-13H2,1-4H3/t14-,17-,18+,19+,20+,23+,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.532 g/mol  logS: -6.62554  SlogP: 4.5127  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.105644  Sterimol/B1: 2.85298  Sterimol/B2: 3.58067  Sterimol/B3: 4.45966
  Sterimol/B4: 7.28158  Sterimol/L: 17.3065 
 
 Surface and Volume Properties
  Accessible surface: 625.539  Positive charged surface: 417.049  Negative charged surface: 208.49  Volume: 385
  Hydrophobic surface: 474.932  Hydrophilic surface: 150.607
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 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.