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PUBCHEM-ZINC04110604

 MMsINC code: MMs03092065
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+/m1/s1

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Potential Energy
Epot(MMFF94)=132.843 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: 0.146756  Sterimol/B1: 2.33832  Sterimol/B2: 4.29522  Sterimol/B3: 4.39668
  Sterimol/B4: 12.8185  Sterimol/L: 15.8131 
 
 Surface and Volume Properties
  Accessible surface: 693.958  Positive charged surface: 271.93  Negative charged surface: 422.027  Volume: 400.25
  Hydrophobic surface: 569.442  Hydrophilic surface: 124.516
 
 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.