Common name
propyl N-methylcarbamate
IUPAC name
propyl N-methylcarbamate
SMILES
CCCOC(=O)NC
Common name
propyl N-methylcarbamate
IUPAC name
propyl N-methylcarbamate
SMILES
CCCOC(=O)NC
INCHI
InChI=1S/C5H11NO2/c1-3-4-8-5(7)6-2/h3-4H2,1-2H3,(H,6,7)
FORMULA
C5H11NO2
Common name
propyl N-methylcarbamate
IUPAC name
propyl N-methylcarbamate
Molecular weight
117.146
clogP
0.016
clogS
-1.152
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
38.33
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03038 | propamocarb |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1yt7_ligand_3_144.mol2 | 1yt7 | 1 | -6.63 | CNC(=O)OCC(C)(C)C | 10 |
| 2aux_ligand_3_65.mol2 | 2aux | 1 | -6.27 | CNC(=O)OCC(C)C | 9 |
| 2a4r_ligand_3_0.mol2 | 2a4r | 1 | -5.51 | C(OC(=O)NC)C(C)C | 9 |
| 2a4g_ligand_3_0.mol2 | 2a4g | 1 | -5.48 | C(=O)(OCC(C)C)NC | 9 |
| 1w10_ligand_3_219.mol2 | 1w10 | 1 | -5.45 | C(C)(C)COC(=O)NC | 9 |
| 2f9v_ligand_3_0.mol2 | 2f9v | 1 | -5.40 | C(OC(=O)NC)C(C)C | 9 |
| 2fs8_ligand_3_1.mol2 | 2fs8 | 1 | -5.24 | C(=O)(OCCC)NC | 8 |
| 2k1q_ligand_3_0.mol2 | 2k1q | 1 | -5.19 | CNC(=O)OCC(C)C | 9 |
124 ,
13
