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NCID-ZINC04962256

 MMsINC code: MMs02418926
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)=197.512 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: 0.208204  Sterimol/B1: 3.57865  Sterimol/B2: 4.19903  Sterimol/B3: 4.53391
  Sterimol/B4: 11.3895  Sterimol/L: 15.1835 
 
 Surface and Volume Properties
  Accessible surface: 764.921  Positive charged surface: 526.013  Negative charged surface: 238.908  Volume: 477.5
  Hydrophobic surface: 652.725  Hydrophilic surface: 112.196
 
 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.