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NCID-ZINC04742384

 MMsINC code: MMs02399015
Type: Neutral
Formula: C24H34O
SMILES:   OC1CCC2C3C(CCC12C)C1(C(CC(CC1)=C1C=CC=C1)CC3)C
InChI:   InChI=1/C24H34O/c1-23-13-11-17(16-5-3-4-6-16)15-18(23)7-8-19-20-9-10-22(25)24(20,2)14-12-21(19)23/h3-6,18-22,25H,7-15H2,1-2H3/t18-,19-,20+,21-,22-,23-,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.535 g/mol  logS: -7.15454  SlogP: 5.8126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118343  Sterimol/B1: 1.969  Sterimol/B2: 3.55872  Sterimol/B3: 5.08774
  Sterimol/B4: 6.49616  Sterimol/L: 16.679 
 
 Surface and Volume Properties
  Accessible surface: 572.664  Positive charged surface: 396.481  Negative charged surface: 170.202  Volume: 363
  Hydrophobic surface: 501.531  Hydrophilic surface: 71.133
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.