Common name
(1Z)-N-(2-phenylpropan-2-yl)methanimidic acid
IUPAC name
(1Z)-N-(2-phenylpropan-2-yl)methanimidic acid
SMILES
c1(ccccc1)C(C)(C)NC=O
Common name
(1Z)-N-(2-phenylpropan-2-yl)methanimidic acid
IUPAC name
(1Z)-N-(2-phenylpropan-2-yl)methanimidic acid
SMILES
c1(ccccc1)C(C)(C)NC=O
INCHI
InChI=1S/C10H13NO/c1-10(2,11-8-12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
FORMULA
C10H13NO
Common name
(1Z)-N-(2-phenylpropan-2-yl)methanimidic acid
IUPAC name
(1Z)-N-(2-phenylpropan-2-yl)methanimidic acid
Molecular weight
163.216
clogP
2.367
clogS
-1.972
Frequency
0.0014
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
32.59
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02356 | bromobutide |
|
Herbicide | Herbicide |
| FDBD02771 | cumyluron |
|
Herbicide | Herbicide |
| FDBD02783 | daimuron |
|
Herbicide | Herbicide |
| FDBD02791 | methyldymron |
|
Herbicide | Herbicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1fd7_ligand_2_12.mol2 | 1fd7 | 0.857143 | -5.90 | c1(ccccc1)C/N=C\O | 10 |
| 4mm9_ligand_2_30.mol2 | 4mm9 | 0.657143 | -7.13 | [C@@H]([NH3+])(C)c1ccccc1 | 9 |
| 2w0j_ligand_frag_4.mol2 | 2w0j | 0.657143 | -6.94 | c1ccc(cc1)[C@H]([NH3+])C | 9 |
| 2ycs_ligand_frag_1.mol2 | 2ycs | 0.657143 | -6.90 | c1ccc(cc1)[C@H]([NH3+])C | 9 |
| 2jiu_ligand_2_20.mol2 | 2jiu | 0.657143 | -6.89 | [C@@H](C)(c1ccccc1)[NH3+] | 9 |
| 2ycq_ligand_frag_1.mol2 | 2ycq | 0.657143 | -6.87 | c1ccc(cc1)[C@H]([NH3+])C | 9 |
| 2itp_ligand_2_20.mol2 | 2itp | 0.657143 | -6.86 | c1(ccccc1)[C@@H](C)[NH3+] | 9 |
| 2itt_ligand_2_20.mol2 | 2itt | 0.657143 | -6.85 | c1(ccccc1)[C@@H](C)[NH3+] | 9 |
| 2yit_ligand_1_2.mol2 | 2yit | 0.657143 | -6.83 | c1ccc(cc1)[C@@H]([NH3+])C | 9 |
| 4uvc_ligand_2_152.mol2 | 4uvc | 0.657143 | -6.77 | C[C@H](c1ccccc1)[NH3+] | 9 |
237 ,
24
