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NCID-ZINC04962254

 MMsINC code: MMs02418923
Type: Neutral
Formula: C30H38O4
SMILES:   OC(C(C(c1cc(C)c(cc1)C)c1cc(C)c(cc1)C)c1cc(C)c(cc1)C)C(O)C(O)
CO
InChI:   InChI=1/C30H38O4/c1-17-7-10-23(13-20(17)4)27(24-11-8-18(2)21(5)14-24)28(30(34)29(33)26(32)16-31)25-12-9-19(3)22(6)15-25/h7-15,26-34H,16H2,1-6H3/t26-,28-,29-,30+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=187.632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 462.63 g/mol  logS: -6.79966  SlogP: 4.52782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.211175  Sterimol/B1: 2.36728  Sterimol/B2: 3.06574  Sterimol/B3: 5.35764
  Sterimol/B4: 13.976  Sterimol/L: 15.6975 
 
 Surface and Volume Properties
  Accessible surface: 774.14  Positive charged surface: 521.067  Negative charged surface: 253.073  Volume: 480.5
  Hydrophobic surface: 642.733  Hydrophilic surface: 131.407
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.