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NCID-ZINC05004742

 MMsINC code: MMs02426969
Type: Neutral
Formula: C24H26O7
SMILES:   O1C2OC(OC2C(OC(=O)c2ccc(cc2)C)C1COC(=O)c1ccc(cc1)C)(C)C
InChI:   InChI=1/C24H26O7/c1-14-5-9-16(10-6-14)21(25)27-13-18-19(20-23(28-18)31-24(3,4)30-20)29-22(26)17-11-7-15(2)8-12-17/h5-12,18-20,23H,13H2,1-4H3/t18-,19+,20-,23+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.465 g/mol  logS: -6.20723  SlogP: 3.56224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0762475  Sterimol/B1: 3.89034  Sterimol/B2: 4.18789  Sterimol/B3: 6.78822
  Sterimol/B4: 9.67374  Sterimol/L: 17.3044 
 
 Surface and Volume Properties
  Accessible surface: 742.059  Positive charged surface: 442.029  Negative charged surface: 300.03  Volume: 405.875
  Hydrophobic surface: 592.717  Hydrophilic surface: 149.342
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: 1
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Ions/Tautomers related molecules: no related molecules available.