Common name
(E)-N-(o-tolyl)but-2-enamide
IUPAC name
(E)-N-(o-tolyl)but-2-enamide
SMILES
c1(c(cccc1)C)NC(=O)C=CC
Common name
(E)-N-(o-tolyl)but-2-enamide
IUPAC name
(E)-N-(o-tolyl)but-2-enamide
SMILES
c1(c(cccc1)C)NC(=O)C=CC
INCHI
InChI=1S/C11H13NO/c1-3-6-11(13)12-10-8-5-4-7-9(10)2/h3-8H,1-2H3,(H,12,13)/b6-3+
FORMULA
C11H13NO
Common name
(E)-N-(o-tolyl)but-2-enamide
IUPAC name
(E)-N-(o-tolyl)but-2-enamide
Molecular weight
175.227
clogP
2.378
clogS
-2.653
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00153 | Crotamiton |
|
Pesticides; Antiscabies Agents; Ectoparasiticides for Topical Use, Incl. Insecticides; Ectoparaciticides, Insecticides and Repellents; Antiparasitic Products, Insecticides and Repellents; | For eradication of scabies (. |
| FDBD02327 | crotamiton |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1elb_ligand_4_703.mol2 | 1elb | 0.719298 | -7.38 | c1(ccccc1)NC(=O)/C=C/C(C)C | 14 |
| 4nie_ligand_3_145.mol2 | 4nie | 0.641509 | -7.13 | CC(=O)Nc1ccc(C)cc1 | 11 |
| 3fkt_ligand_2_1.mol2 | 3fkt | 0.641509 | -6.84 | C(=O)(Nc1ccc(cc1)C)C | 11 |
| 1m51_ligand_2_27.mol2 | 1m51 | 0.641509 | -6.32 | Cc1ccc(cc1)NC(=O)C | 11 |
| 4j4o_ligand_3_0.mol2 | 4j4o | 0.633333 | -7.26 | c1(ccccc1CC)NC(=O)C | 12 |
| 4j4n_ligand_3_0.mol2 | 4j4n | 0.633333 | -6.47 | O=C(Nc1ccccc1CC)C | 12 |
| 4kiq_ligand_1_1.mol2 | 4kiq | 0.627451 | -7.14 | c1(c(cccc1)NC=O)C | 10 |
| 3b2w_ligand_1_0.mol2 | 3b2w | 0.627451 | -6.90 | N(C=O)c1ccccc1C | 10 |
| 2nyr_ligand_1_2.mol2 | 2nyr | 0.627451 | -6.83 | N(C=O)c1ccccc1C | 10 |
129 ,
13
