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PUBCHEM-ZINC04110601

 MMsINC code: MMs03092063
Type: Neutral
Formula: C26H14ClF2NO5
SMILES:   Clc1ccc(cc1)C1OC2(C3C1C(=O)N(c1ccc(F)cc1F)C3=O)C(=O)c1c(cccc
1)C2=O
InChI:   InChI=1/C26H14ClF2NO5/c27-13-7-5-12(6-8-13)21-19-20(25(34)30(24(19)33)18-10-9-14(28)11-17(18)29)26(35-21)22(31)15-3-1-2-4-16(15)23(26)32/h1-11,19-21H/t19-,20+,21-/m0/s1

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Potential Energy
Epot(MMFF94)=158.204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 493.849 g/mol  logS: -7.46672  SlogP: 4.4088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165162  Sterimol/B1: 2.69674  Sterimol/B2: 4.57081  Sterimol/B3: 5.78891
  Sterimol/B4: 8.77055  Sterimol/L: 15.8591 
 
 Surface and Volume Properties
  Accessible surface: 663.635  Positive charged surface: 273.553  Negative charged surface: 390.082  Volume: 399.375
  Hydrophobic surface: 550.416  Hydrophilic surface: 113.219
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.