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 |
|---|---|---|---|---|
| FDBD02525 | methalpropalin |
|
Herbicide | Herbicide |
| FDBD02526 | nitralin |
|
Herbicide | Herbicide |
| FDBD02527 | pendimethalin |
|
Herbicide | Herbicide |
| FDBD02528 | prodiamine |
|
Herbicide | Herbicide |
| FDBD02529 | profluralin |
|
Herbicide | Herbicide |
| FDBD02530 | trifluralin |
|
Herbicide | Herbicide |
| FDBD02591 | bilanafos |
|
Herbicide | Herbicide |
| FDBD02882 | prosulfalin |
|
Herbicide | Herbicide |
| FDBD02895 | dodicin |
|
Fungicide | Fungicide |
| FDBD02896 | dodine |
|
Fungicide | Fungicide |
85 ,
9
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a99_ligand_2_0.mol2 | 1a99 | 1 | -6.12 | [NH3+]CCC | 4 |
| 1pot_ligand_2_14.mol2 | 1pot | 1 | -6.12 | C([NH3+])CC | 4 |
| 1pot_ligand_2_0.mol2 | 1pot | 1 | -6.11 | CCC[NH3+] | 4 |
| 1pot_ligand_2_5.mol2 | 1pot | 1 | -6.10 | C(C[NH3+])C | 4 |
| 1i7c_ligand_2_2.mol2 | 1i7c | 1 | -6.09 | CCC[NH3+] | 4 |
| 3coz_ligand_1_0.mol2 | 3coz | 1 | -6.06 | C(C)(C)C[NH3+] | 5 |
| 1lah_ligand_2_2.mol2 | 1lah | 1 | -6.05 | CCC[NH3+] | 4 |
505 ,
51
