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MICROSOURCE-ZINC01530598

 MMsINC code: MMs02187811
Type: Neutral
Formula: C23H21ClO3
SMILES:   ClC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1
InChI:   InChI=1/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.871 g/mol  logS: -6.39162  SlogP: 5.68509  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0916247  Sterimol/B1: 2.38916  Sterimol/B2: 3.90391  Sterimol/B3: 4.06891
  Sterimol/B4: 10.6792  Sterimol/L: 18.528 
 
 Surface and Volume Properties
  Accessible surface: 646.461  Positive charged surface: 443.845  Negative charged surface: 202.616  Volume: 368.75
  Hydrophobic surface: 616.419  Hydrophilic surface: 30.042
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.