Molecular Properties | |
SMILES: | O=C(CCl)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 |
MW: | 327.01 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 63.24 |
cLogP: | 2.84 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6040072624 |
MolPort: | MolPort-002-882-195 |
Activated haloaromatics
MAR-TRE-6a44bbf2-89
0.491
SAD-SAT-6b5a89f0-8
0.408
MAR-TRE-6a44bbf2-85
0.407
MAR-TRE-6a44bbf2-19
0.394
MAR-TRE-a3327163-54
0.367
MAR-TRE-6a44bbf2-47
0.364
SAD-SAT-6b5a89f0-10
0.340
AHN-SAT-de2502ba-6
0.338
MAR-TRE-6a44bbf2-43
0.338
MAR-TRE-6a44bbf2-93
0.333
AHN-SAT-de2502ba-5
0.329
KAY-MCD-d0fe5261-1
0.328
DRR-IMP-dff87f5e-1
0.328
MAR-TRE-6a44bbf2-58
0.328
YOI-UNK-4c10088f-1
0.322
MAR-TRE-7f7bb9f0-56
0.319
MAK-UNK-ca11b4f7-1
0.316
MAK-UNK-72659d64-3
0.310
AHN-SAT-de2502ba-4
0.306
MAR-TRE-6a44bbf2-100
0.306
MAR-TRE-6a44bbf2-16
0.302
MAR-TRE-6a44bbf2-74
0.302
IND-SYN-6c8299e8-9
0.301
MAR-TRE-6a44bbf2-95
0.300
BEN-DND-03406596-8
0.296
MAR-TRE-6c5ef77a-66
0.293
MAR-TRE-6a44bbf2-88
0.293
MAR-TRE-6a44bbf2-48
0.293
SAD-SAT-65574d3f-4
0.293
MAR-TRE-6a44bbf2-17
0.292
MAR-TRE-6a44bbf2-81
0.292
JOH-UNI-c7afdb96-2
0.290
WIL-UNI-1faa9b10-16
0.289
MAK-UNK-a7b37c5e-5
0.288
MAR-TRE-a3327163-48
0.286
MAR-TRE-a3327163-68
0.286
AHN-SAT-de2502ba-19
0.286
MAR-TRE-6a44bbf2-10
0.286
MAR-TRE-7f7bb9f0-26
0.284
AHN-SAT-de2502ba-13
0.284
MAR-TRE-6a44bbf2-83
0.284
DAN-MCD-c163c0bb-1
0.282
CAS-DEP-751a2458-6
0.279
MAR-TRE-6a44bbf2-73
0.279
SAD-SAT-65574d3f-2
0.279
AHN-SAT-de2502ba-18
0.278
AHN-SAT-de2502ba-17
0.278
MAK-UNK-1e8f9e3c-6
0.277
MAK-UNK-e0fdfe28-1
0.276
MAR-TRE-6a44bbf2-84
0.275
ISA-SCH-8e98219b-2
0.275
AHN-SAT-de2502ba-10
0.274
MAR-TRE-6c5ef77a-32
0.274
MAR-TRE-6a44bbf2-42
0.273
MAR-TRE-1c920f6f-95
0.272
MAR-TRE-6c5ef77a-92
0.272
WIL-UNI-1faa9b10-5
0.270
MAR-TRE-6c5ef77a-74
0.269
MAR-TRE-a3327163-57
0.269
MAK-UNK-1e8f9e3c-5
0.268
MAR-TRE-6a44bbf2-35
0.268
MAR-TRE-d0525fbf-92
0.267
KEI-TRE-d5e2018a-95
0.267
SAD-SAT-65574d3f-3
0.267
MAR-TRE-14ce9fd6-68
0.266
MAR-TRE-6a44bbf2-59
0.265
JOH-UNI-c7afdb96-14
0.265
GAB-FAC-880f6604-1
0.262
WIL-UNI-1faa9b10-19
0.260
MAR-TRE-6a44bbf2-5
0.258
MAR-TRE-6a44bbf2-12
0.257
AHN-SAT-de2502ba-16
0.257
WIL-UNI-1faa9b10-56
0.256
MAR-TRE-e86a56b5-38
0.256
BAR-COM-4e090d3a-57
0.256
SAD-SAT-1f400d17-2
0.254
MAR-TRE-6a44bbf2-39
0.254
AAR-POS-d2a4d1df-33
0.254
AHN-SAT-de2502ba-9
0.253
MAR-TRE-f6f5f473-79
0.253
RIT-AID-8d6141ff-1
0.253
MAR-TRE-04c86cea-35
0.250
LON-WEI-8f408cad-1
0.250
MAT-POS-fa06b69f-5
0.250
MAT-POS-162a9720-4
0.250
MAK-UNK-7a704a63-10
0.250
MAR-TRE-7f7bb9f0-74
0.250
TAT-ENA-80bfd3e5-36
0.250
MAR-TRE-e82e6c98-50
0.250
AAR-POS-0daf6b7e-11
0.250
MAR-TRE-2fd8122f-52
0.247
MAR-LAB-ff9967db-8
0.247
MAR-TRE-66ac689e-50
0.247
KAT-UNK-b2a0d5b1-1
0.247
AAR-UNI-c25c2f1e-79
0.247
SWA-SYN-d2e6fa14-10
0.247
SWA-SYN-6423ea73-9
0.247
AAR-POS-0daf6b7e-4
0.247
IND-SYN-6c8299e8-8
0.247
DRR-IMP-db50bf6e-1
0.246