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APOLLO-ZINC02386442

 MMsINC code: MMs00052003
Type: Neutral
Formula: C8H10FN
SMILES:   Fc1ccccc1N(C)C
InChI:   InChI=1/C8H10FN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.5668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 139.173 g/mol  logS: -1.60727  SlogP: 1.8917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.205196  Sterimol/B1: 2.39588  Sterimol/B2: 3.78267  Sterimol/B3: 4.13876
  Sterimol/B4: 4.74105  Sterimol/L: 9.81274 
 
 Surface and Volume Properties
  Accessible surface: 327.18  Positive charged surface: 225.297  Negative charged surface: 101.883  Volume: 142.75
  Hydrophobic surface: 325.251  Hydrophilic surface: 1.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.