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ASINEX-ZINC00822395

 MMsINC code: MMs00181540
Type: Neutral
Formula: C26H15ClFNO5
SMILES:   Clc1cc(N2C(=O)C3C(C(OC34C(=O)c3c(cccc3)C4=O)c3ccccc3)C2=O)cc
c1F
InChI:   InChI=1/C26H15ClFNO5/c27-17-12-14(10-11-18(17)28)29-24(32)19-20(25(29)33)26(34-21(19)13-6-2-1-3-7-13)22(30)15-8-4-5-9-16(15)23(26)31/h1-12,19-21H/t19-,20-,21+/m0/s1

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Potential Energy
Epot(MMFF94)=105.995 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: 0.158718  Sterimol/B1: 4.38183  Sterimol/B2: 4.42624  Sterimol/B3: 6.35313
  Sterimol/B4: 7.96554  Sterimol/L: 14.7982 
 
 Surface and Volume Properties
  Accessible surface: 671.627  Positive charged surface: 297.415  Negative charged surface: 374.212  Volume: 400.5
  Hydrophobic surface: 565.659  Hydrophilic surface: 105.968
 
 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.