Common name
(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine
IUPAC name
(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine
SMILES
CC(C)CN1C[C@H](O[C@H](C1)C)C
Common name
(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine
IUPAC name
(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine
SMILES
CC(C)CN1C[C@H](O[C@H](C1)C)C
INCHI
InChI=1S/C10H21NO/c1-8(2)5-11-6-9(3)12-10(4)7-11/h8-10H,5-7H2,1-4H3/t9-,10+
FORMULA
C10H21NO
Common name
(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine
IUPAC name
(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine
Molecular weight
171.280
clogP
1.687
clogS
-1.602
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
12.47
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03163 | fenpropimorph |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4f6u_ligand_3_19.mol2 | 4f6u | 0.961538 | -6.51 | C(CC)[NH+]1CCOCC1 | 9 |
| 4o44_ligand_3_0.mol2 | 4o44 | 0.961538 | -5.65 | CCC[NH+]1CCOCC1 | 9 |
| 2rfn_ligand_3_30.mol2 | 2rfn | 0.961538 | -5.37 | [NH+]1(CCOCC1)CCC | 9 |
| 2vrx_ligand_3_0.mol2 | 2vrx | 0.961538 | -5.31 | C(C)C[NH+]1CCOCC1 | 9 |
| 2itz_ligand_3_0.mol2 | 2itz | 0.961538 | -5.30 | C([NH+]1CCOCC1)CC | 9 |
| 3iej_ligand_3_0.mol2 | 3iej | 0.961538 | -5.28 | C([NH+]1CCOCC1)CC | 9 |
| 4lvt_ligand_3_525.mol2 | 4lvt | 0.961538 | -5.26 | C(CC)[NH+]1CCOCC1 | 9 |
| 2ity_ligand_3_5.mol2 | 2ity | 0.961538 | -5.24 | C(C)C[NH+]1CCOCC1 | 9 |
154 ,
16
