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ACROSORGANICS-ZINC00152323

 MMsINC code: MMs00004602
Type: Neutral
Formula: C7H4FNS
SMILES:   s1c2c(nc1F)cccc2
InChI:   InChI=1/C7H4FNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.4519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.18 g/mol  logS: -2.96671  SlogP: 2.4354  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.10812e-07  Sterimol/B1: 2.1835  Sterimol/B2: 2.1865  Sterimol/B3: 3.12998
  Sterimol/B4: 4.74965  Sterimol/L: 10.0414 
 
 Surface and Volume Properties
  Accessible surface: 305.109  Positive charged surface: 122.82  Negative charged surface: 182.29  Volume: 129
  Hydrophobic surface: 257.306  Hydrophilic surface: 47.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.