Common name
(4-fluorophenyl)methanamine
IUPAC name
(4-fluorophenyl)methanamine
SMILES
Fc1ccc(cc1)CN
Common name
(4-fluorophenyl)methanamine
IUPAC name
(4-fluorophenyl)methanamine
SMILES
Fc1ccc(cc1)CN
INCHI
InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
FORMULA
C7H8FN
Common name
(4-fluorophenyl)methanamine
IUPAC name
(4-fluorophenyl)methanamine
Molecular weight
125.144
clogP
1.876
clogS
-2.074
Frequency
0.0007
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01354 | Ezogabine |
|
Anticonvulsants; Nervous System; Antiepileptics; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); | Adjuvant treatment of partial-onset seizures. |
| FDBD01426 | Flupirtine |
|
Analgesics; Nervous System; | Investigated for use/treatment in fibromyalgia. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tnh_ligand.mol2 | 1tnh | 1 | -6.63 | c1(ccc(cc1)F)C[NH3+] | 10 |
| 2o5d_ligand_2_10.mol2 | 2o5d | 1 | -6.58 | [NH3+]Cc1ccc(cc1)F | 9 |
| 4b76_ligand_1_1.mol2 | 4b76 | 0.870968 | -6.40 | C([NH3+])c1ccc(F)cc1F | 10 |
| 4dv8_ligand_2_45.mol2 | 4dv8 | 0.870968 | -6.08 | C(c1ccc(cc1)F)[NH2+]C | 10 |
| 4yt6_ligand_2_16.mol2 | 4yt6 | 0.862069 | -5.77 | c1(c(cccc1)F)C[NH3+] | 9 |
| 4yt7_ligand_2_26.mol2 | 4yt7 | 0.862069 | -5.75 | C([NH3+])c1c(cccc1)F | 9 |
| 4l6q_ligand_1_0.mol2 | 4l6q | 0.833333 | -5.92 | C([NH3+])c1cc(F)ccc1 | 9 |
| 3iok_ligand_2_0.mol2 | 3iok | 0.818182 | -6.48 | C[C@H]([NH3+])c1ccc(F)cc1 | 10 |
116 ,
12
