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NCID-ZINC01631599

 MMsINC code: MMs02276491
Type: Neutral
Formula: C29H20Cl4O4
SMILES:   Clc1cc(ccc1OCCCOc1ccc(cc1Cl)C(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)
cc1
InChI:   InChI=1/C29H20Cl4O4/c30-22-8-2-18(3-9-22)28(34)20-6-12-26(24(32)16-20)36-14-1-15-37-27-13-7-21(17-25(27)33)29(35)19-4-10-23(31)11-5-19/h2-13,16-17H,1,14-15H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=175.192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 574.287 g/mol  logS: -10.5645  SlogP: 8.6101  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00970932  Sterimol/B1: 2.13184  Sterimol/B2: 3.80501  Sterimol/B3: 5.17051
  Sterimol/B4: 8.6345  Sterimol/L: 26.148 
 
 Surface and Volume Properties
  Accessible surface: 875.069  Positive charged surface: 351.745  Negative charged surface: 523.324  Volume: 492.375
  Hydrophobic surface: 802.372  Hydrophilic surface: 72.697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.