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NCID-ZINC05759185

 MMsINC code: MMs02495271
Type: Neutral
Formula: C24H30O7
SMILES:   O1c2c(cc3OCOc3c2)C(C(C)C1(OCCC)C)c1cc(OC)c(OC)c(OC)c1
InChI:   InChI=1/C24H30O7/c1-7-8-30-24(3)14(2)22(15-9-20(25-4)23(27-6)21(10-15)26-5)16-11-18-19(29-13-28-18)12-17(16)31-24/h9-12,14,22H,7-8,13H2,1-6H3/t14-,22-,24+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.497 g/mol  logS: -4.82616  SlogP: 4.7443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.214197  Sterimol/B1: 2.8622  Sterimol/B2: 4.65171  Sterimol/B3: 5.74709
  Sterimol/B4: 10.0961  Sterimol/L: 17.2381 
 
 Surface and Volume Properties
  Accessible surface: 702.144  Positive charged surface: 561.49  Negative charged surface: 140.654  Volume: 409.625
  Hydrophobic surface: 573.271  Hydrophilic surface: 128.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.