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 |
|---|---|---|---|---|---|
| 3coy_ligand_1_1.mol2 | 3coy | 1 | -6.51 | C([NH3+])C(C)(C)C | 6 |
| 4fys_ligand_1_1.mol2 | 4fys | 1 | -6.43 | C(C)(C)C[NH3+] | 5 |
| 1a99_ligand_2_2.mol2 | 1a99 | 1 | -6.26 | CCC[NH3+] | 4 |
| 2ajb_ligand_1_0.mol2 | 2ajb | 1 | -6.25 | C(C)(C)(C)C[NH3+] | 6 |
| 1i7m_ligand_2_2.mol2 | 1i7m | 1 | -6.16 | C(C[NH3+])C | 4 |
| 4qfp_ligand_1_1.mol2 | 4qfp | 1 | -6.14 | C(C)(C)C[NH3+] | 5 |
505 ,
51
