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PUBCHEM-ZINC05764483

 MMsINC code: MMs03378001
Type: Neutral
Formula: C23H33FO2
SMILES:   FCCCCCC1C2C3CCC(O)C3(CCC2c2c(C1)cc(O)cc2)C
InChI:   InChI=1/C23H33FO2/c1-23-11-10-19-18-7-6-17(25)14-16(18)13-15(5-3-2-4-12-24)22(19)20(23)8-9-21(23)26/h6-7,14-15,19-22,25-26H,2-5,8-13H2,1H3/t15-,19-,20+,21+,22-,23+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.513 g/mol  logS: -5.85062  SlogP: 5.36517  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.152062  Sterimol/B1: 3.48502  Sterimol/B2: 4.57574  Sterimol/B3: 5.54806
  Sterimol/B4: 6.9401  Sterimol/L: 15.6876 
 
 Surface and Volume Properties
  Accessible surface: 618.248  Positive charged surface: 447.531  Negative charged surface: 170.716  Volume: 365.875
  Hydrophobic surface: 473.556  Hydrophilic surface: 144.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.