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NCID-ZINC01685769

 MMsINC code: MMs02318902
Type: Neutral
Formula: C7H6FNO
SMILES:   Fc1cc(NC=O)ccc1
InChI:   InChI=1/C7H6FNO/c8-6-2-1-3-7(4-6)9-5-10/h1-5H,(H,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.9429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 139.129 g/mol  logS: -1.77823  SlogP: 1.394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0247292  Sterimol/B1: 2.19031  Sterimol/B2: 2.52216  Sterimol/B3: 2.73446
  Sterimol/B4: 5.18357  Sterimol/L: 10.0294 
 
 Surface and Volume Properties
  Accessible surface: 302.812  Positive charged surface: 169.161  Negative charged surface: 133.651  Volume: 124.75
  Hydrophobic surface: 220.946  Hydrophilic surface: 81.866
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.