Common name
cyclopentanamine
IUPAC name
cyclopentanamine
SMILES
C1(CCCC1)N
Common name
cyclopentanamine
IUPAC name
cyclopentanamine
SMILES
C1(CCCC1)N
INCHI
InChI=1S/C5H11N/c6-5-3-1-2-4-5/h5H,1-4,6H2
FORMULA
C5H11N
Common name
cyclopentanamine
IUPAC name
cyclopentanamine
Molecular weight
85.148
clogP
1.109
clogS
-0.570
Frequency
0.0003
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03236 | pencycuron |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wt6_ligand_1_0.mol2 | 4wt6 | 1 | -5.92 | [NH3+]C1CCCC1 | 6 |
| 3at3_ligand_1_4.mol2 | 3at3 | 1 | -5.89 | [NH3+]C1CCCC1 | 6 |
| 3h3c_ligand_1_4.mol2 | 3h3c | 1 | -5.79 | C1(CCCC1)[NH3+] | 6 |
| 4feq_ligand_1_2.mol2 | 4feq | 1 | -5.71 | [NH3+]C1CCCC1 | 6 |
| 4kxl_ligand_1_0.mol2 | 4kxl | 1 | -5.71 | [NH3+]C1CCCC1 | 6 |
| 2v0z_ligand_4_3381.mol2 | 2v0z | 0.9 | -6.59 | C(C[NH3+])[C@@H](C(C)C)C | 8 |
101 ,
11
