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ASINEX-ZINC04901860

 MMsINC code: MMs00399236
Type: Neutral
Formula: C16H16FNO4S
SMILES:   s1cccc1C(OC(C(=O)NCCOC)c1ccccc1F)=O
InChI:   InChI=1/C16H16FNO4S/c1-21-9-8-18-15(19)14(11-5-2-3-6-12(11)17)22-16(20)13-7-4-10-23-13/h2-7,10,14H,8-9H2,1H3,(H,18,19)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=60.3817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.371 g/mol  logS: -3.95137  SlogP: 2.6434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.072788  Sterimol/B1: 3.37227  Sterimol/B2: 3.71882  Sterimol/B3: 4.39124
  Sterimol/B4: 6.47808  Sterimol/L: 17.0666 
 
 Surface and Volume Properties
  Accessible surface: 587.991  Positive charged surface: 339.118  Negative charged surface: 248.873  Volume: 300.875
  Hydrophobic surface: 515.889  Hydrophilic surface: 72.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.