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CHEMSTAR-ZINC04091235

 MMsINC code: MMs01101859
Type: Neutral
Formula: C26H15ClFNO5
SMILES:   Clc1ccc(cc1)C1OC2(C3C1C(=O)N(C3=O)c1cc(F)ccc1)C(=O)c1c(cccc1
)C2=O
InChI:   InChI=1/C26H15ClFNO5/c27-14-10-8-13(9-11-14)21-19-20(25(33)29(24(19)32)16-5-3-4-15(28)12-16)26(34-21)22(30)17-6-1-2-7-18(17)23(26)31/h1-12,19-21H/t19-,20+,21+/m1/s1

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Potential Energy
Epot(MMFF94)=125.623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 475.859 g/mol  logS: -7.17174  SlogP: 4.2697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104923  Sterimol/B1: 2.30674  Sterimol/B2: 4.06868  Sterimol/B3: 4.36602
  Sterimol/B4: 12.6935  Sterimol/L: 15.6153 
 
 Surface and Volume Properties
  Accessible surface: 678.233  Positive charged surface: 281.16  Negative charged surface: 397.074  Volume: 397.25
  Hydrophobic surface: 563.009  Hydrophilic surface: 115.224
 
 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.