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ACROSORGANICS-ZINC02242675

 MMsINC code: MMs00013237
Type: Neutral
Formula: C7H4FNO
SMILES:   Fc1cc(N=C=O)ccc1
InChI:   InChI=1/C7H4FNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.3564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 137.113 g/mol  logS: -1.61017  SlogP: 1.793  Reactive groups: 1
 
 Topological Properties
  Globularity: 2.88792e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09853  Sterimol/B3: 3.11583
  Sterimol/B4: 5.05323  Sterimol/L: 9.95408 
 
 Surface and Volume Properties
  Accessible surface: 292.781  Positive charged surface: 135.747  Negative charged surface: 157.034  Volume: 122.125
  Hydrophobic surface: 202.668  Hydrophilic surface: 90.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.