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CHEMBRIDGE-ZINC01062587

 MMsINC code: MMs00656305
Type: Neutral
Formula: C27H23ClF2N2O5
SMILES:   Clc1cc(F)c(F)cc1C(=O)Nc1cc(OC)c(OC)cc1Cc1nccc2c1cc(OC)c(OC)c
2
InChI:   InChI=1/C27H23ClF2N2O5/c1-34-23-8-14-5-6-31-22(16(14)11-25(23)36-3)7-15-9-24(35-2)26(37-4)13-21(15)32-27(33)17-10-19(29)20(30)12-18(17)28/h5-6,8-13H,7H2,1-4H3,(H,32,33)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=186.492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 528.939 g/mol  logS: -7.45623  SlogP: 6.04387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114559  Sterimol/B1: 2.41578  Sterimol/B2: 2.55456  Sterimol/B3: 5.75713
  Sterimol/B4: 10.0413  Sterimol/L: 17.5294 
 
 Surface and Volume Properties
  Accessible surface: 742.346  Positive charged surface: 493.751  Negative charged surface: 240.419  Volume: 455.75
  Hydrophobic surface: 691.02  Hydrophilic surface: 51.326
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.