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PUBCHEM-ZINC04178453

 MMsINC code: MMs03096514
Type: Neutral
Formula: C26H14ClF2NO5
SMILES:   Clc1ccccc1C1OC2(C3C1C(=O)N(c1ccc(F)cc1F)C3=O)C(=O)c1c(cccc1)
C2=O
InChI:   InChI=1/C26H14ClF2NO5/c27-16-8-4-3-7-15(16)21-19-20(25(34)30(24(19)33)18-10-9-12(28)11-17(18)29)26(35-21)22(31)13-5-1-2-6-14(13)23(26)32/h1-11,19-21H/t19-,20+,21+/m1/s1

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Potential Energy
Epot(MMFF94)=134.943 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: 0.198112  Sterimol/B1: 2.71406  Sterimol/B2: 3.23593  Sterimol/B3: 6.0238
  Sterimol/B4: 10.3196  Sterimol/L: 15.4721 
 
 Surface and Volume Properties
  Accessible surface: 671.358  Positive charged surface: 283.039  Negative charged surface: 388.319  Volume: 403.75
  Hydrophobic surface: 564.72  Hydrophilic surface: 106.638
 
 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.