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ENAMINE-ZINC05127897

 MMsINC code: MMs01590857
Type: Neutral
Formula: C16H10FNO3S
SMILES:   S\1\C(=C/c2cc(F)ccc2)\C(=O)N/C/1=C/C(=O)c1occc1
InChI:   InChI=1/C16H10FNO3S/c17-11-4-1-3-10(7-11)8-14-16(20)18-15(22-14)9-12(19)13-5-2-6-21-13/h1-9H,(H,18,20)/b14-8-,15-9+

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Potential Energy
Epot(MMFF94)=69.4928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.324 g/mol  logS: -5.42052  SlogP: 3.3469  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00640141  Sterimol/B1: 2.10043  Sterimol/B2: 2.45441  Sterimol/B3: 2.98649
  Sterimol/B4: 7.17701  Sterimol/L: 18.1038 
 
 Surface and Volume Properties
  Accessible surface: 530.613  Positive charged surface: 236.932  Negative charged surface: 293.681  Volume: 270.5
  Hydrophobic surface: 393.468  Hydrophilic surface: 137.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01590858
ENAMINE-ZINC05127897