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FRINTON-ZINC02545395

 MMsINC code: MMs01728024
Type: Neutral
Formula: C30H46O2
SMILES:   Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)c1cc(cc(C(C)(C)C)c1O)C(C)(C
)C
InChI:   InChI=1/C30H46O2/c1-18(21-14-19(27(2,3)4)16-23(25(21)31)29(8,9)10)22-15-20(28(5,6)7)17-24(26(22)32)30(11,12)13/h14-18,31-32H,1-13H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=182.698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.696 g/mol  logS: -10.4305  SlogP: 8.4396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170343  Sterimol/B1: 2.07217  Sterimol/B2: 5.59621  Sterimol/B3: 5.96837
  Sterimol/B4: 6.99232  Sterimol/L: 14.8535 
 
 Surface and Volume Properties
  Accessible surface: 728.354  Positive charged surface: 506.521  Negative charged surface: 221.833  Volume: 488.875
  Hydrophobic surface: 495.109  Hydrophilic surface: 233.245
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.