Common name
propan-1-amine
IUPAC name
propan-1-amine
SMILES
CCCN
Common name
propan-1-amine
IUPAC name
propan-1-amine
SMILES
CCCN
INCHI
InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
FORMULA
C3H9N
Common name
propan-1-amine
IUPAC name
propan-1-amine
Molecular weight
59.110
clogP
-0.200
clogS
-0.540
Frequency
0.0292
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 |
|---|---|---|---|---|
| FDBD02968 | blasticidin-S |
|
Fungicide | Fungicide |
| FDBD03166 | ampropylfos |
|
Fungicide | Fungicide |
| FDBD03173 | izopamfos |
|
Fungicide | Fungicide |
| FDBD03197 | diflumetorim |
|
Fungicide | Fungicide |
| FDBD03266 | spiroxamine |
|
Fungicide | Fungicide |
85 ,
9
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1b05_ligand_2_12.mol2 | 1b05 | 1 | -5.80 | C([NH3+])CC | 4 |
| 1b3g_ligand_2_13.mol2 | 1b3g | 1 | -5.80 | CCC[NH3+] | 4 |
| 1b4h_ligand_2_13.mol2 | 1b4h | 1 | -5.80 | C([NH3+])CC | 4 |
| 1b5j_ligand_2_104.mol2 | 1b5j | 1 | -5.80 | CCC[NH3+] | 4 |
| 1jeu_ligand_2_1.mol2 | 1jeu | 1 | -5.80 | CCC[NH3+] | 4 |
| 1qka_ligand_2_1.mol2 | 1qka | 1 | -5.80 | C(C)C[NH3+] | 4 |
| 2bgn_ligand_2_14.mol2 | 2bgn | 1 | -5.80 | CCC[NH3+] | 4 |
| 2fdp_ligand_2_14.mol2 | 2fdp | 1 | -5.80 | C(C[NH3+])C | 4 |
| 2rkm_ligand_2_44.mol2 | 2rkm | 1 | -5.80 | CCC[NH3+] | 4 |
| 3cm2_ligand_1_0.mol2 | 3cm2 | 1 | -5.80 | C([NH3+])CC | 4 |
505 ,
51
