Common name
propan-2-yl N-phenylcarbamate
IUPAC name
propan-2-yl N-phenylcarbamate
SMILES
O(C(C)C)C(=O)Nc1ccccc1
Common name
propan-2-yl N-phenylcarbamate
IUPAC name
propan-2-yl N-phenylcarbamate
SMILES
O(C(C)C)C(=O)Nc1ccccc1
INCHI
InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
FORMULA
C10H13NO2
Common name
propan-2-yl N-phenylcarbamate
IUPAC name
propan-2-yl N-phenylcarbamate
Molecular weight
179.216
clogP
1.433
clogS
-2.203
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
38.33
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02492 | phenisopham |
|
Herbicide | Herbicide |
| FDBD03041 | diethofencarb |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4r1y_ligand_3_144.mol2 | 4r1y | 0.97619 | -7.27 | C(OC(=O)Nc1ccccc1)C | 12 |
| 4r1y_ligand_2_31.mol2 | 4r1y | 0.857143 | -7.01 | COC(=O)Nc1ccccc1 | 11 |
| 4x6o_ligand_1_9.mol2 | 4x6o | 0.857143 | -6.38 | c1ccc(cc1)NC(=O)OC | 11 |
| 4y8x_ligand_1_7.mol2 | 4y8x | 0.857143 | -6.38 | c1cccc(c1)NC(=O)OC | 11 |
| 4y8y_ligand_1_0.mol2 | 4y8y | 0.857143 | -6.37 | c1(ccccc1)NC(=O)OC | 11 |
| 4crd_ligand_1_3.mol2 | 4crd | 0.857143 | -6.29 | c1cc(ccc1)NC(=O)OC | 11 |
| 4x8v_ligand_1_5.mol2 | 4x8v | 0.857143 | -5.64 | c1cc(ccc1)NC(=O)OC | 11 |
| 4r1y_ligand_4_370.mol2 | 4r1y | 0.788462 | -7.59 | C(OC(=O)Nc1cc(C)ccc1)C | 13 |
| 3jvr_ligand_2_0.mol2 | 3jvr | 0.719298 | -7.29 | C(C)OC(=O)Nc1ccc(c(Cl)c1)Cl | 14 |
| 4r1y_ligand_1_3.mol2 | 4r1y | 0.714286 | -6.96 | c1(ccccc1)NC(=O)O | 10 |
253 ,
26
