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ENAMINE-ZINC02533932

 MMsINC code: MMs01251671
Type: Tautomer
Formula: C8H10FN
SMILES:   Fc1ccccc1CNC
InChI:   InChI=1/C8H10FN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.0502 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 139.173 g/mol  logS: -1.42036  SlogP: 1.8115  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0579949  Sterimol/B1: 2.3813  Sterimol/B2: 3.26439  Sterimol/B3: 3.70196
  Sterimol/B4: 3.74223  Sterimol/L: 10.9619 
 
 Surface and Volume Properties
  Accessible surface: 325.491  Positive charged surface: 220.233  Negative charged surface: 105.258  Volume: 143.75
  Hydrophobic surface: 299.188  Hydrophilic surface: 26.303
 
 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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Parent related molecule:


MMs01251670
ENAMINE-ZINC02533932