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NCID-ZINC05464387

 MMsINC code: MMs02464676
Type: Neutral
Formula: C24H32O2
SMILES:   O1CC\C(=C\C=C(\C=C\C=C(\C=C/C=2C(CCCC=2C)(C)C)/C)/C)\C1=O
InChI:   InChI=1/C24H32O2/c1-18(11-13-21-15-17-26-23(21)25)8-6-9-19(2)12-14-22-20(3)10-7-16-24(22,4)5/h6,8-9,11-14H,7,10,15-17H2,1-5H3/b8-6+,14-12-,18-11-,19-9-,21-13-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=186.609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.518 g/mol  logS: -9.18283  SlogP: 6.3913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0808588  Sterimol/B1: 2.82956  Sterimol/B2: 4.19643  Sterimol/B3: 5.17182
  Sterimol/B4: 5.88522  Sterimol/L: 18.678 
 
 Surface and Volume Properties
  Accessible surface: 637.864  Positive charged surface: 435.853  Negative charged surface: 202.011  Volume: 381.625
  Hydrophobic surface: 544.284  Hydrophilic surface: 93.58
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.