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PUBCHEM-ZINC02010504

 MMsINC code: MMs02848757
Type: Neutral
Formula: C8H11FN2
SMILES:   Fc1ccccc1CCNN
InChI:   InChI=1/C8H11FN2/c9-8-4-2-1-3-7(8)5-6-11-10/h1-4,11H,5-6,10H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.188 g/mol  logS: -1.38618  SlogP: 0.83147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0860302  Sterimol/B1: 2.42289  Sterimol/B2: 2.59729  Sterimol/B3: 3.37416
  Sterimol/B4: 5.07154  Sterimol/L: 12.0754 
 
 Surface and Volume Properties
  Accessible surface: 355.487  Positive charged surface: 220.748  Negative charged surface: 134.739  Volume: 154.625
  Hydrophobic surface: 255.586  Hydrophilic surface: 99.901
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.