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NCID-ZINC01632027

 MMsINC code: MMs02276754
Type: Neutral
Formula: C23H20O5
SMILES:   O1C2C(c3cc(O)c(OCc4ccccc4)cc13)COc1cc(OC)ccc12
InChI:   InChI=1/C23H20O5/c1-25-15-7-8-16-20(9-15)27-13-18-17-10-19(24)22(11-21(17)28-23(16)18)26-12-14-5-3-2-4-6-14/h2-11,18,23-24H,12-13H2,1H3/t18-,23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.408 g/mol  logS: -4.96752  SlogP: 4.9514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0418863  Sterimol/B1: 2.2401  Sterimol/B2: 3.61473  Sterimol/B3: 3.90097
  Sterimol/B4: 7.8591  Sterimol/L: 20.6665 
 
 Surface and Volume Properties
  Accessible surface: 652.33  Positive charged surface: 432.645  Negative charged surface: 219.685  Volume: 352.5
  Hydrophobic surface: 567.501  Hydrophilic surface: 84.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.