Molecular Properties | |
SMILES: | O=C(CCl)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 |
MW: | 315.04 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 87.63 |
cLogP: | 1.33 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2206066482 |
MolPort: | MolPort-044-387-491 |
imine
Dye 22
MAR-TRE-6a44bbf2-59
0.848
MAR-TRE-6a44bbf2-19
0.526
AHN-SAT-de2502ba-6
0.479
MAR-TRE-6a44bbf2-43
0.479
AHN-SAT-de2502ba-5
0.467
IND-SYN-6c8299e8-9
0.436
MAR-TRE-6a44bbf2-100
0.423
AHN-SAT-de2502ba-4
0.423
LON-WEI-8f408cad-1
0.390
AAR-POS-0daf6b7e-11
0.390
MAK-UNK-7a704a63-10
0.390
MAK-UNK-1e8f9e3c-3
0.344
WAR-XCH-bdd24732-24
0.341
IND-SYN-6c8299e8-8
0.333
MED-COV-4280ac29-10
0.333
SWA-SYN-6423ea73-9
0.333
SWA-SYN-d2e6fa14-10
0.333
MAR-TRE-66ac689e-65
0.326
AAR-POS-d2a4d1df-38
0.325
MAK-UNK-1e8f9e3c-5
0.315
MAR-TRE-6a44bbf2-17
0.312
MAR-TRE-6a44bbf2-89
0.308
MAR-TRE-66ac689e-76
0.303
SAD-SAT-6b5a89f0-8
0.303
MAK-UNK-1e8f9e3c-4
0.302
JAN-GHE-1d98ec1c-7
0.299
LON-WEI-b8d98729-4
0.299
MAK-UNK-ca11b4f7-1
0.296
MAR-TRE-6a44bbf2-93
0.295
WIL-UNI-1faa9b10-16
0.292
MAR-TRE-6a44bbf2-90
0.286
MAR-TRE-6a44bbf2-74
0.286
MAK-UNK-1e8f9e3c-6
0.281
MAR-TRE-6a44bbf2-84
0.280
MAR-TRE-6a44bbf2-35
0.274
MAK-UNK-7a704a63-9
0.274
MAR-TRE-66ac689e-10
0.274
AHN-SAT-de2502ba-13
0.273
MAR-TRE-6a44bbf2-83
0.273
MAR-TRE-6a44bbf2-95
0.271
MAR-TRE-799db12b-25
0.266
MAK-UNK-c8c8f7e2-18
0.264
MAR-TRE-6a44bbf2-42
0.264
MAR-TRE-799db12b-37
0.263
MAR-TRE-6a44bbf2-88
0.260
AHN-SAT-de2502ba-19
0.259
SAD-SAT-6b5a89f0-10
0.257
MIC-UNK-66895286-3
0.256
MAR-TRE-6a44bbf2-16
0.253
AHN-SAT-de2502ba-17
0.253
AHN-SAT-de2502ba-18
0.253
MAK-UNK-c8c8f7e2-25
0.253
WIL-UNI-1faa9b10-35
0.253
YOI-UNK-4c10088f-1
0.250
AHN-SAT-de2502ba-10
0.250
CHR-SOS-e960e883-3
0.250
MIC-UNK-4c7b8ba7-1
0.250
MAR-TRE-9d18ae8c-77
0.250
MAR-TRE-9d18ae8c-82
0.247
MAR-TRE-2fd8122f-2
0.247
SAD-SAT-24589cd1-2
0.247
MAT-POS-14ad9fe9-1
0.245
JIN-POS-6dc588a4-20
0.245
CHR-SOS-e960e883-2
0.245
MAR-TRE-66ac689e-25
0.245
BEN-DND-61647d40-14
0.245
RAL-MED-2de63afb-3
0.245
WIL-UNI-1faa9b10-11
0.245
MAR-TRE-6a44bbf2-3
0.244
MAK-UNK-10dfa458-3
0.244
RAL-MED-2de63afb-11
0.244
MAK-UNK-6435e6c2-4
0.244
CHR-SOS-70e4c98a-9
0.242
RAL-MED-2de63afb-13
0.242
MAR-TRE-799db12b-34
0.242
MAR-TRE-799db12b-43
0.242
MAR-TRE-799db12b-86
0.242
RAL-MED-2de63afb-8
0.242
MAK-UNK-987948f6-7
0.242
MAR-TRE-6a44bbf2-76
0.241
MAK-UNK-c8c8f7e2-15
0.241
MAK-UNK-7a704a63-8
0.241
JAN-GHE-5a013bed-9
0.241
DAN-MCD-02570321-1
0.241
CHR-SOS-e960e883-1
0.240
SAD-SAT-65574d3f-3
0.240
MAR-TRE-3e4e6814-62
0.239
CHA-MCP-85291e1d-4
0.239
MAK-UNK-c8c8f7e2-17
0.239
CHR-SOS-70e4c98a-4
0.238
ADA-UCB-b1b30a00-3
0.237
SWA-SYN-6423ea73-8
0.237
SWA-SYN-d2e6fa14-8
0.237
RAL-MED-2de63afb-7
0.237
MAR-TRE-4f781e27-43
0.236
MAK-UNK-9159f8ed-1
0.236
MAT-POS-500ca5bf-2
0.235
EDG-MED-0da5ad92-2
0.235
MIC-UNK-42806bd5-1
0.235
ALP-POS-90e38439-2
0.235