Common name
N-methoxycyclohexanimine
IUPAC name
N-methoxycyclohexanimine
SMILES
CON=C1CCCCC1
Common name
N-methoxycyclohexanimine
IUPAC name
N-methoxycyclohexanimine
SMILES
CON=C1CCCCC1
INCHI
InChI=1S/C7H13NO/c1-9-8-7-5-3-2-4-6-7/h2-6H2,1H3
FORMULA
C7H13NO
Common name
N-methoxycyclohexanimine
IUPAC name
N-methoxycyclohexanimine
Molecular weight
127.184
clogP
2.229
clogS
-1.667
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
21.59
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02333 | fluhexafon |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1g2l_ligand_1_5.mol2 | 1g2l | 0.48 | -5.49 | O/N=C\C1CC1 | 6 |
| 1g30_ligand_1_5.mol2 | 1g30 | 0.48 | -5.33 | C1CC1/C=N\O | 6 |
| 1oyq_ligand_1_5.mol2 | 1oyq | 0.48 | -5.08 | O/N=C\C1CC1 | 6 |
| 1c4u_ligand_2_27.mol2 | 1c4u | 0.375 | -6.86 | C(=N)(N)[C@H]1CC[C@@H](CC1)C | 10 |
| 1c4u_ligand_1_7.mol2 | 1c4u | 0.375 | -6.58 | C(=N)(N)C1CCCCC1 | 9 |
| 1c4u_ligand_2_25.mol2 | 1c4u | 0.361111 | -6.30 | C(/N=C/C1CCCCC1)O | 10 |
| 1ljt_ligand_1_1.mol2 | 1ljt | 0.340426 | -6.21 | C[C@@H]1ON=CC1 | 6 |
384 ,
39
