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ACROSORGANICS-ZINC00085251

 MMsINC code: MMs00003862
Type: Neutral
Formula: C6H7FN2
SMILES:   Fc1ccc(NN)cc1
InChI:   InChI=1/C6H7FN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2

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Potential Energy
Epot(MMFF94)=38.9032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.134 g/mol  logS: -1.38067  SlogP: 1.1113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00710434  Sterimol/B1: 2.12706  Sterimol/B2: 2.18267  Sterimol/B3: 2.51577
  Sterimol/B4: 5.16025  Sterimol/L: 10.0465 
 
 Surface and Volume Properties
  Accessible surface: 291.769  Positive charged surface: 167.515  Negative charged surface: 124.254  Volume: 117.5
  Hydrophobic surface: 199.918  Hydrophilic surface: 91.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.