Common name
N-methylcyclopentanamine
IUPAC name
N-methylcyclopentanamine
SMILES
C1(CCCC1)NC
Common name
N-methylcyclopentanamine
IUPAC name
N-methylcyclopentanamine
SMILES
C1(CCCC1)NC
INCHI
InChI=1S/C6H13N/c1-7-6-4-2-3-5-6/h6-7H,2-5H2,1H3
FORMULA
C6H13N
Common name
N-methylcyclopentanamine
IUPAC name
N-methylcyclopentanamine
Molecular weight
99.174
clogP
1.396
clogS
-1.396
Frequency
0.0003
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03236 | pencycuron |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zft_ligand_1_4.mol2 | 2zft | 1 | -6.00 | C1(CCCC1)[NH2+]C | 7 |
| 3h3c_ligand_1_5.mol2 | 3h3c | 1 | -5.89 | [NH+](C)(C)C1CCCC1 | 8 |
| 3ge7_ligand_2_7.mol2 | 3ge7 | 0.882353 | -6.19 | C1(CCCC1)C[NH2+]C | 8 |
| 1h37_ligand_4_201.mol2 | 1h37 | 0.875 | -6.10 | C[NH2+]C[C@@H]1[C@H](C1)C | 7 |
| 4hra_ligand_4_92.mol2 | 4hra | 0.823529 | -5.70 | C[NH2+][C@H]1C[C@H](C1)CC | 8 |
| 2vie_ligand_4_992.mol2 | 2vie | 0.8 | -6.37 | C(C)(C)(CCC)[NH2+]C | 8 |
| 3n4l_ligand_1_4.mol2 | 3n4l | 0.777778 | -6.54 | C[NH2+]C1CCCCC1 | 8 |
152 ,
16
