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ASINEX-ZINC01019489

 MMsINC code: MMs00227926
Type: Neutral
Formula: C20H18FNO4S
SMILES:   s1cccc1C(=O)C1C(N(CC2OCCC2)C(=O)C1=O)c1ccc(F)cc1
InChI:   InChI=1/C20H18FNO4S/c21-13-7-5-12(6-8-13)17-16(18(23)15-4-2-10-27-15)19(24)20(25)22(17)11-14-3-1-9-26-14/h2,4-8,10,14,16-17H,1,3,9,11H2/t14-,16-,17+/m1/s1

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Potential Energy
Epot(MMFF94)=65.1304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.431 g/mol  logS: -4.55761  SlogP: 3.1132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195082  Sterimol/B1: 2.8294  Sterimol/B2: 3.44503  Sterimol/B3: 5.9248
  Sterimol/B4: 8.95864  Sterimol/L: 15.7112 
 
 Surface and Volume Properties
  Accessible surface: 606.606  Positive charged surface: 321.533  Negative charged surface: 285.073  Volume: 340.875
  Hydrophobic surface: 512.889  Hydrophilic surface: 93.717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 1
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Ions/Tautomers related molecules


MMs00227928
ASINEX-ZINC01019489


MMs00227929
ASINEX-ZINC01019489


MMs00227927
ASINEX-ZINC01019489


MMs00227930
ASINEX-ZINC01019489