Common name
1-methyl-1-phenyl-3-propan-2-ylurea
IUPAC name
1-methyl-1-phenyl-3-propan-2-ylurea
SMILES
c1(ccccc1)N(C)C(=O)NC(C)C
Common name
1-methyl-1-phenyl-3-propan-2-ylurea
IUPAC name
1-methyl-1-phenyl-3-propan-2-ylurea
SMILES
c1(ccccc1)N(C)C(=O)NC(C)C
INCHI
InChI=1S/C11H16N2O/c1-9(2)12-11(14)13(3)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,12,14)
FORMULA
C11H16N2O
Common name
1-methyl-1-phenyl-3-propan-2-ylurea
IUPAC name
1-methyl-1-phenyl-3-propan-2-ylurea
Molecular weight
192.258
clogP
1.040
clogS
-2.190
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
32.34
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02791 | methyldymron |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mw5_ligand_3_34.mol2 | 4mw5 | 0.974359 | -7.37 | C(C)NC(=O)Nc1ccccc1 | 12 |
| 4mvx_ligand_3_12.mol2 | 4mvx | 0.974359 | -7.35 | CCNC(=O)Nc1ccccc1 | 12 |
| 4ekg_ligand_3_28.mol2 | 4ekg | 0.974359 | -7.24 | N(C(=O)NCC)c1ccccc1 | 12 |
| 4eki_ligand_3_36.mol2 | 4eki | 0.974359 | -7.20 | N(C(=O)NCC)c1ccccc1 | 12 |
| 4wvl_ligand_3_14.mol2 | 4wvl | 0.974359 | -6.94 | O=C(Nc1ccccc1)NCC | 12 |
| 4mx1_ligand_3_9.mol2 | 4mx1 | 0.974359 | -6.70 | O=C(NCC)Nc1ccccc1 | 12 |
| 4ngs_ligand_3_7.mol2 | 4ngs | 0.974359 | -6.65 | O=C(NCC)Nc1ccccc1 | 12 |
| 4mw5_ligand_4_34.mol2 | 4mw5 | 0.886364 | -7.50 | CCCNC(=O)Nc1ccccc1 | 13 |
| 4ekg_ligand_4_56.mol2 | 4ekg | 0.886364 | -7.33 | N(C(=O)NCCC)c1ccccc1 | 13 |
140 ,
15
