Molecular Properties | |
SMILES: | CC(NC(=O)C=O)c1cc(Cl)cc(-c2ccc(S(N)(=O)=O)cc2)c1 |
MW: | 366.04 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 106.33 |
cLogP: | 2.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-07-24 |
Synthesis Location: | wuxi |
Shipped: | synthesis in progress |
aldehyde
alpha_dicarbonyl
aldehyde
diketo group
Aldehydes
α-Diketones
Filter38_aldehyde
aldehyde
1,2-dicarbonyl not in ring
aldehyde
Oxalyl
Aldehyde
DAV-CRI-14a23e73-1
EDJ-MED-8698005e-1
0.742
EDJ-MED-f073a5ff-2
0.719
DAV-CRI-14a23e73-1
0.697
EDJ-MED-f073a5ff-4
0.630
JON-UIO-82a15e73-5
0.556
EDJ-MED-f073a5ff-3
0.548
JON-UIO-82a15e73-3
0.537
DAV-CRI-14a23e73-2
0.468
DAV-CRI-14a23e73-4
0.463
JON-UIO-d28d79fe-5
0.455
JON-UIO-82a15e73-2
0.425
JON-UIO-82a15e73-7
0.394
JON-UIO-82a15e73-4
0.387
JON-UIO-d28d79fe-7
0.373
JON-UIO-d28d79fe-6
0.373
JON-UIO-82a15e73-6
0.359
JON-UIO-82a15e73-9
0.345
JON-UIO-d28d79fe-8
0.333
RIT-RIT-fdc869b4-1
0.327
JON-UIO-82a15e73-8
0.324
JON-UIO-82a15e73-1
0.321
JON-UIO-d28d79fe-4
0.312
WIL-UNI-1faa9b10-24
0.299
WAR-XCH-b72a1bbc-3
0.299
JON-UIO-82a15e73-10
0.298
DAV-CRI-3edb475e-2
0.297
DAV-CRI-14a23e73-6
0.290
WAR-XCH-b72a1bbc-2
0.284
JON-UIO-82a15e73-12
0.279
DAV-CRI-14a23e73-5
0.277
DAV-CRI-3edb475e-6
0.276
CHR-SOS-7098f804-15
0.275
MAK-UNK-af83ef51-17
0.267
WIL-UNI-1faa9b10-49
0.266
MAT-POS-7dfc56d9-1
0.265
VIJ-CYC-1a381570-11
0.263
MAR-TRE-6a44bbf2-73
0.257
SAD-SAT-65574d3f-2
0.257
MAR-TRE-f5c2d31c-72
0.256
JOK-SYG-ac99ed27-1
0.255
WAR-XCH-b72a1bbc-4
0.250
AAR-POS-0daf6b7e-45
0.250
WAR-XCH-b6889685-47
0.247
AAR-POS-0daf6b7e-10
0.247
LIZ-THE-6efed59f-3
0.246
DAV-CRI-3edb475e-1
0.244
SAD-SAT-1f400d17-7
0.244
IND-SYN-5e5c1c3e-1
0.243
IND-SYN-a2b2ab0e-2
0.243
IND-SYN-830dcead-1
0.243
MAR-TRE-8190bb11-5
0.241
JON-UIO-82a15e73-11
0.241
SAD-SAT-1f400d17-4
0.240
WAR-XCH-b6889685-23
0.237
JON-UIO-066ce08b-13
0.235
DAV-CRI-f9b12666-1
0.234
LIZ-THE-d3ff4653-2
0.234
STU-CHA-91df9a40-1
0.232
LIZ-THE-57c545eb-1
0.232
WAR-XCH-b6889685-48
0.231
MAR-TRE-66ac689e-3
0.230
IND-SYN-a2b2ab0e-1
0.230
IND-SYN-5e5c1c3e-2
0.230
LIZ-THE-d3ff4653-1
0.230
VIJ-CYC-1a381570-5
0.229
WIL-LEE-1f71e281-7
0.226
SAD-SAT-581007d4-10
0.226
WAR-XCH-b6889685-64
0.225
MAK-UNK-0d6072ac-2
0.224
RAL-THA-6b94ceba-13
0.223
MAK-UNK-0b1cbb06-2
0.222
TAM-UNI-d1c3dd9f-22
0.222
WAR-XCH-b6889685-49
0.221
SAD-SAT-581007d4-6
0.221
CHR-SOS-7098f804-19
0.220
MAT-POS-b5746674-77
0.220
WIL-UNI-1faa9b10-42
0.220
MAR-UCB-195bc32d-25
0.220
DAV-CRI-f9b12666-2
0.219
AAR-POS-d2a4d1df-15
0.219
JOK-SYG-a0b0bf84-1
0.218
JON-UIO-066ce08b-7
0.218
JOH-IMS-54aa76a2-5
0.216
SAD-SAT-581007d4-3
0.216
NIM-UNI-bb9030bf-5
0.214
PET-SGC-6062269a-1
0.214
LIZ-THE-6efed59f-1
0.214
VIJ-CYC-1a381570-6
0.214
JAN-GHE-1d98ec1c-10
0.213
MAR-TRE-4f781e27-59
0.213
WAR-XCH-b6889685-53
0.212
MAR-TRE-c317dd82-94
0.211
MAK-UNK-0d6072ac-30
0.211
MAK-UNK-0d6072ac-24
0.211
MAR-TRE-9d18ae8c-4
0.211
WAR-XCH-b72a1bbc-46
0.211
JOK-SYG-6ec557d2-1
0.210
RAL-THA-1d44ff04-10
0.210
DAV-CRI-3edb475e-3
0.210
SIM-DEM-5935bd74-7
0.209