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PEPTECH-ZINC02385934

 MMsINC code: MMs02616405
Type: Neutral
Formula: C10H12FNO2
SMILES:   Fc1cc(ccc1)CC(N)CC(O)=O
InChI:   InChI=1/C10H12FNO2/c11-8-3-1-2-7(4-8)5-9(12)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.9566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.209 g/mol  logS: -1.28401  SlogP: 1.17017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101547  Sterimol/B1: 2.43672  Sterimol/B2: 3.30652  Sterimol/B3: 3.44733
  Sterimol/B4: 5.0118  Sterimol/L: 13.0807 
 
 Surface and Volume Properties
  Accessible surface: 394.392  Positive charged surface: 228.998  Negative charged surface: 165.394  Volume: 184.875
  Hydrophobic surface: 263.542  Hydrophilic surface: 130.85
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.