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NCID-ZINC01732683

MMsINC code: MMs02355335

Type: Neutral
Formula: C30H46O2
SMILES:   Oc1c(-c2c(C)c(cc(CC(C)C)c2O)C(C)(C)C)c(C)c(cc1C(C)(C)C)CC(C)
C
InChI:   InChI=1/C30H46O2/c1-17(2)13-21-15-24(30(10,11)12)28(32)25(19(21)5)26-20(6)23(29(7,8)9)16-22(27(26)31)14-18(3)4/h15-18,31-32H,13-14H2,1-12H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=205.286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.696 g/mol  logS: -11.4866  SlogP: 8.37358  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.283179  Sterimol/B1: 2.93265  Sterimol/B2: 4.91178  Sterimol/B3: 7.38795
  Sterimol/B4: 7.4853  Sterimol/L: 15.289 
 
 Surface and Volume Properties
  Accessible surface: 737.895  Positive charged surface: 506.746  Negative charged surface: 231.149  Volume: 487.25
  Hydrophobic surface: 537.854  Hydrophilic surface: 200.041
 
 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.