Molecular Properties | |
SMILES: | O=C(CCl)Nc1cccc(S(=O)(=O)N2CCSCC2)c1 |
MW: | 334.85 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 66.48 |
cLogP: | 1.6014 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Dye 22
Hetero_hetero
AAR-POS-d2a4d1df-30
MAR-TRE-6a44bbf2-43
0.733
AHN-SAT-de2502ba-6
0.733
AHN-SAT-de2502ba-5
0.710
AHN-SAT-de2502ba-4
0.698
MAR-TRE-6a44bbf2-100
0.698
AAR-POS-d2a4d1df-38
0.493
MAR-TRE-6a44bbf2-10
0.436
MAK-UNK-7a704a63-10
0.411
LON-WEI-8f408cad-1
0.411
AAR-POS-0daf6b7e-11
0.411
MAK-UNK-009ebe36-2
0.410
MAR-TRE-799db12b-34
0.407
MAR-TRE-6a44bbf2-59
0.405
MAR-TRE-6a44bbf2-89
0.400
SWA-SYN-6423ea73-9
0.387
IND-SYN-6c8299e8-8
0.387
SWA-SYN-d2e6fa14-10
0.387
AHN-SAT-de2502ba-19
0.373
MAR-TRE-6a44bbf2-42
0.370
AAR-POS-d2a4d1df-23
0.370
LON-WEI-8f408cad-4
0.370
BEN-DND-76ad4ac9-6
0.370
BEN-DND-03406596-10
0.370
MAR-TRE-6a44bbf2-18
0.370
AHN-SAT-de2502ba-13
0.367
MAR-TRE-6a44bbf2-83
0.367
MAR-TRE-6a44bbf2-65
0.364
AHN-SAT-de2502ba-17
0.364
TAT-ENA-80bfd3e5-43
0.364
AHN-SAT-de2502ba-18
0.364
MAK-UNK-7c9d1431-11
0.364
JAN-GHE-1d98ec1c-7
0.362
LON-WEI-b8d98729-4
0.362
MAK-UNK-987948f6-7
0.362
DRR-IMP-dff87f5e-8
0.360
AHN-SAT-de2502ba-16
0.359
AHN-SAT-de2502ba-10
0.359
AHN-SAT-de2502ba-9
0.354
MAK-UNK-1e8f9e3c-3
0.345
WAR-XCH-bdd24732-24
0.341
TAT-ENA-80bfd3e5-25
0.338
BEN-DND-03406596-3
0.338
BEN-DND-76ad4ac9-14
0.338
MAK-UNK-7c9d1431-4
0.338
IND-SYN-6c8299e8-2
0.338
PEI-IMP-ca0b2813-3
0.338
MAR-TRE-6a44bbf2-3
0.333
JOO-IND-6372a4f3-2
0.333
MAK-UNK-987948f6-6
0.333
MAK-UNK-1e8f9e3c-5
0.330
SAD-SAT-6b5a89f0-8
0.323
MED-COV-4280ac29-10
0.317
DAN-MCD-50ec7d1f-1
0.316
DAN-MCD-5c762fbe-1
0.316
MAK-UNK-6435e6c2-5
0.315
JOO-IND-6372a4f3-3
0.313
JOO-IND-6372a4f3-1
0.312
KEN-MCD-6084b33e-1
0.312
MAK-UNK-009ebe36-7
0.312
MAR-TRE-6a44bbf2-93
0.311
MAR-TRE-66ac689e-65
0.310
MAK-UNK-7c9d1431-10
0.308
MAR-TRE-6a44bbf2-32
0.308
ABB-MCD-f8003a30-1
0.308
ABB-MCD-f549d731-1
0.308
WIL-UNI-1faa9b10-16
0.306
KEI-TRE-d5e2018a-22
0.303
JAY-UNK-11f5bdbd-1
0.303
MAR-TRE-6a44bbf2-74
0.301
MAR-TRE-6a44bbf2-90
0.301
MAC-MCD-4707377b-1
0.301
MAK-UNK-1e8f9e3c-4
0.301
MAK-UNK-69bf97dd-1
0.301
BEN-DND-03ad4429-3
0.299
MAK-UNK-10dfa458-5
0.299
MAR-TRE-fd17a9b8-56
0.298
MAK-UNK-7c9d1431-9
0.297
MAR-TRE-6a44bbf2-21
0.297
TAT-ENA-80bfd3e5-27
0.297
MAK-UNK-c8c8f7e2-23
0.296
MAR-TRE-6a44bbf2-26
0.295
MAK-UNK-10dfa458-29
0.295
MAK-UNK-7c9d1431-8
0.295
PEI-IMP-ca0b2813-1
0.295
MAK-UNK-ca11b4f7-1
0.294
MAK-UNK-c74072e5-9
0.293
MAR-TRE-6a44bbf2-17
0.293
MAK-UNK-c8c8f7e2-18
0.293
SAD-SAT-6b5a89f0-10
0.292
BEN-DND-03ad4429-1
0.292
ANT-OPE-7824651a-2
0.291
MAK-UNK-7c9d1431-3
0.289
SAD-SAT-24589cd1-2
0.289
DRR-IMP-dff87f5e-2
0.289
MAK-UNK-7a704a63-9
0.287
MAR-TRE-66ac689e-76
0.287
DAN-MCD-02570321-1
0.287
MAR-TRE-6a44bbf2-16
0.284
MAR-TRE-d0525fbf-45
0.282
MAK-UNK-7c9d1431-19
0.280