Common name
2-(4-methoxyiminocyclohexyl)acetonitrile
IUPAC name
2-(4-methoxyiminocyclohexyl)acetonitrile
SMILES
C(C#N)[C@@H]1CC/C(=N/OC)/CC1
Common name
2-(4-methoxyiminocyclohexyl)acetonitrile
IUPAC name
2-(4-methoxyiminocyclohexyl)acetonitrile
SMILES
C(C#N)[C@@H]1CC/C(=N/OC)/CC1
INCHI
InChI=1S/C9H14N2O/c1-12-11-9-4-2-8(3-5-9)6-7-10/h8H,2-6H2,1H3/b11-9-/t8-/m1/s1
FORMULA
C9H14N2O
Common name
2-(4-methoxyiminocyclohexyl)acetonitrile
IUPAC name
2-(4-methoxyiminocyclohexyl)acetonitrile
Molecular weight
166.220
clogP
2.103
clogS
-1.961
Frequency
0.0003
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
45.38
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02333 | fluhexafon |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1c4u_ligand_2_27.mol2 | 1c4u | 0.457143 | -6.86 | C(=N)(N)[C@H]1CC[C@@H](CC1)C | 10 |
| 1c4u_ligand_1_7.mol2 | 1c4u | 0.457143 | -6.58 | C(=N)(N)C1CCCCC1 | 9 |
| 4eft_ligand_2_2.mol2 | 4eft | 0.419355 | -7.08 | C1(CCCCC1)CCC#N | 10 |
| 4ivc_ligand_1_2.mol2 | 4ivc | 0.419355 | -6.43 | C1CCC(CC1)CC#N | 9 |
| 4ivd_ligand_2_5.mol2 | 4ivd | 0.419355 | -6.37 | C(C1CCCCC1)CC#N | 10 |
| 4ivb_ligand_frag_2.mol2 | 4ivb | 0.419355 | -6.27 | C1CCC(CC1)C#N | 8 |
| 4iva_ligand_frag_2.mol2 | 4iva | 0.419355 | -6.23 | C1CCC(CC1)C#N | 8 |
100 ,
11
