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NCID-ZINC06002584

 MMsINC code: MMs02514567
Type: Neutral
Formula: C36H48O6
SMILES:   O1Cc2cc(cc(COCc3cc(cc(COCc4cc(cc(C1)c4O)C(C)(C)C)c3O)C(C)(C)
C)c2O)C(C)(C)C
InChI:   InChI=1/C36H48O6/c1-34(2,3)28-10-22-16-40-18-24-12-29(35(4,5)6)14-26(32(24)38)20-42-21-27-15-30(36(7,8)9)13-25(33(27)39)19-41-17-23(11-28)31(22)37/h10-15,37-39H,16-21H2,1-9H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=219.53 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 576.774 g/mol  logS: -10.3646  SlogP: 9.7581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0498734  Sterimol/B1: 2.61676  Sterimol/B2: 4.74107  Sterimol/B3: 5.96084
  Sterimol/B4: 12.6824  Sterimol/L: 18.4543 
 
 Surface and Volume Properties
  Accessible surface: 889.66  Positive charged surface: 668.035  Negative charged surface: 221.624  Volume: 591.5
  Hydrophobic surface: 683.421  Hydrophilic surface: 206.239
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.