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NCID-ZINC05856071

 MMsINC code: MMs02508755
Type: Neutral
Formula: C23H34O3
SMILES:   O=C1C23C(CC(C1)C(=C2)C(C)C)C1(C(CC3)C(CCC1)(C(OC)=O)C)C
InChI:   InChI=1/C23H34O3/c1-14(2)16-13-23-10-7-17-21(3,18(23)11-15(16)12-19(23)24)8-6-9-22(17,4)20(25)26-5/h13-15,17-18H,6-12H2,1-5H3/t15-,17+,18+,21+,22+,23+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=208.402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.522 g/mol  logS: -5.54185  SlogP: 4.9436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165595  Sterimol/B1: 4.0585  Sterimol/B2: 4.21911  Sterimol/B3: 4.39116
  Sterimol/B4: 5.38846  Sterimol/L: 15.1018 
 
 Surface and Volume Properties
  Accessible surface: 555.398  Positive charged surface: 414.851  Negative charged surface: 140.547  Volume: 360.125
  Hydrophobic surface: 447.992  Hydrophilic surface: 107.406
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.