Common name
(NZ)-N-[(2S)-2-methylsulfanylpropylidene]hydroxylamine
IUPAC name
(NZ)-N-[(2S)-2-methylsulfanylpropylidene]hydroxylamine
SMILES
S(C)[C@@H](C)/C=N\O
Common name
(NZ)-N-[(2S)-2-methylsulfanylpropylidene]hydroxylamine
IUPAC name
(NZ)-N-[(2S)-2-methylsulfanylpropylidene]hydroxylamine
SMILES
S(C)[C@@H](C)/C=N\O
INCHI
InChI=1S/C4H9NOS/c1-4(7-2)3-5-6/h3-4,6H,1-2H3/b5-3-/t4-/m0/s1
FORMULA
C4H9NOS
Common name
(NZ)-N-[(2S)-2-methylsulfanylpropylidene]hydroxylamine
IUPAC name
(NZ)-N-[(2S)-2-methylsulfanylpropylidene]hydroxylamine
Molecular weight
119.185
clogP
0.676
clogS
-0.282
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
57.89
Number of Rings
0
Rotatable Bond
2
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1g2l_ligand_1_5.mol2 | 1g2l | 0.409091 | -5.49 | O/N=C\C1CC1 | 6 |
| 1g30_ligand_1_5.mol2 | 1g30 | 0.409091 | -5.33 | C1CC1/C=N\O | 6 |
| 1oyq_ligand_1_5.mol2 | 1oyq | 0.409091 | -5.08 | O/N=C\C1CC1 | 6 |
| 1jq3_ligand_4_120.mol2 | 1jq3 | 0.388889 | -6.09 | CSC(C)C | 5 |
| 2i7c_ligand_3_36.mol2 | 2i7c | 0.388889 | -6.07 | CC(C)SC | 5 |
| 4wko_ligand_4_35.mol2 | 4wko | 0.35 | -5.90 | CCCSC | 5 |
| 1jq3_ligand_4_206.mol2 | 1jq3 | 0.35 | -5.85 | CCCSC | 5 |
183 ,
19
