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ASINEX-ZINC02899017

 MMsINC code: MMs00280567
Type: Ionized
Formula: C10H11FNO4S-
SMILES:   S(=O)(=O)(NCCCC(=O)[O-])c1ccc(F)cc1
InChI:   InChI=1/C10H12FNO4S/c11-8-3-5-9(6-4-8)17(15,16)12-7-1-2-10(13)14/h3-6,12H,1-2,7H2,(H,13,14)/p-1

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Potential Energy
Epot(MMFF94)=-3.30352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.265 g/mol  logS: -1.85782  SlogP: -0.3659  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165925  Sterimol/B1: 2.48949  Sterimol/B2: 3.49865  Sterimol/B3: 5.10761
  Sterimol/B4: 5.75439  Sterimol/L: 12.6004 
 
 Surface and Volume Properties
  Accessible surface: 452.113  Positive charged surface: 209.716  Negative charged surface: 242.397  Volume: 212.125
  Hydrophobic surface: 266.978  Hydrophilic surface: 185.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00280566
ASINEX-ZINC02899017