Common name
(2S)-but-3-en-2-amine
IUPAC name
(2S)-but-3-en-2-amine
SMILES
C(=C)C(C)N
Common name
(2S)-but-3-en-2-amine
IUPAC name
(2S)-but-3-en-2-amine
SMILES
C(=C)C(C)N
INCHI
InChI=1S/C4H9N/c1-3-4(2)5/h3-4H,1,5H2,2H3/t4-/m0/s1
FORMULA
C4H9N
Common name
(2S)-but-3-en-2-amine
IUPAC name
(2S)-but-3-en-2-amine
Molecular weight
71.121
clogP
0.019
clogS
-0.261
Frequency
0.0003
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00930 | Vigabatrin |
|
Enzyme Inhibitors; Anticonvulsants; GABA Agents; Nervous System; Antiepileptics; Fatty Acid Derivatives; | For use as an adjunct in treatment resistant epilepsy, refractory complex partial seizures, and secondary generalized seizures. It is also used as monotherapy in infantile spasms in West syndrome. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4h4d_ligand_1_5.mol2 | 4h4d | 0.777778 | -5.84 | C=C(C)C[NH3+] | 5 |
| 1h37_ligand_2_43.mol2 | 1h37 | 0.75 | -5.63 | C(C=C)[NH3+] | 4 |
| 1pzj_ligand_2_52.mol2 | 1pzj | 0.75 | -5.01 | C=CC[NH3+] | 4 |
| 4ceb_ligand_2_49.mol2 | 4ceb | 0.75 | -4.90 | [NH3+]CC=C | 4 |
102 ,
11
