Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(=O)c2cscc2Cl)CC1 |
MW: | 306.0 |
Fraction sp3: | 0.45 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 40.62 |
cLogP: | 1.92 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-6ca90168-20
0.500
DRR-IMP-db50bf6e-3
0.481
SAD-SAT-bc31ec01-1
0.474
SAD-SAT-581007d4-5
0.466
SAD-SAT-1b030f84-9
0.463
MAK-UNK-6ca90168-15
0.448
JOH-UNI-27ac80fd-25
0.439
AAR-POS-0daf6b7e-16
0.439
SAD-SAT-3a925b8b-1
0.439
MAK-UNK-987948f6-2
0.436
MAK-UNK-6ca90168-1
0.429
AAR-POS-d2a4d1df-25
0.421
AHN-SAT-de2502ba-8
0.421
MAR-TRE-6a44bbf2-61
0.421
AAR-POS-d2a4d1df-29
0.421
DRR-IMP-db50bf6e-1
0.421
SAD-SAT-3a925b8b-4
0.421
SAD-SAT-3a925b8b-5
0.421
LON-WEI-8f408cad-7
0.407
AAR-POS-0daf6b7e-13
0.407
MAK-UNK-212f693e-8
0.407
SAD-SAT-581007d4-6
0.406
AAR-POS-0daf6b7e-21
0.404
MAK-UNK-7c9d1431-29
0.404
MAK-UNK-6ca90168-16
0.400
ASH-SAT-43770c7d-10
0.400
MAK-UNK-987948f6-3
0.400
PAU-UNI-8cdd41c7-1
0.397
MAK-UNK-704ed37c-11
0.396
MAT-POS-ee51dedd-2
0.393
MAK-UNK-6ca90168-18
0.392
MAK-UNK-6ca90168-17
0.392
SAD-SAT-581007d4-7
0.387
MAT-POS-2db6411e-2
0.387
SAD-SAT-5b1897b2-9
0.385
SAD-SAT-1b030f84-8
0.385
DRR-IMP-dff87f5e-3
0.377
AAR-POS-d2a4d1df-44
0.377
SAD-SAT-bc31ec01-5
0.377
BEN-DND-76ad4ac9-8
0.375
MAK-UNK-987948f6-5
0.373
MED-COV-4280ac29-15
0.371
AAR-POS-d2a4d1df-35
0.371
HYO-UNK-49a60884-1
0.371
MAK-UNK-212f693e-9
0.371
AAR-POS-0daf6b7e-15
0.371
JOH-UNI-0e1753c1-3
0.371
DRR-IMP-db50bf6e-2
0.369
MAK-UNK-704ed37c-12
0.365
MAK-UNK-7c9d1431-12
0.365
SAD-SAT-5b1897b2-8
0.365
SAD-SAT-581007d4-1
0.365
SAD-SAT-581007d4-2
0.365
DRR-IMP-38dce17f-3
0.362
MAK-UNK-7c9d1431-24
0.362
DRR-IMP-38dce17f-1
0.361
SAD-SAT-65574d3f-9
0.361
MAK-UNK-6ca90168-10
0.361
DRR-IMP-dff87f5e-4
0.361
MAK-UNK-212f693e-13
0.359
MAK-UNK-987948f6-4
0.358
MAK-UNK-704ed37c-10
0.358
MAK-UNK-52a1ef4b-1
0.357
AAR-POS-0daf6b7e-2
0.355
MED-COV-4280ac29-33
0.353
DRR-IMP-38dce17f-6
0.350
MAK-UNK-52a1ef4b-2
0.350
MAR-TRE-6a44bbf2-52
0.349
AAR-POS-d2a4d1df-22
0.349
LON-WEI-8f408cad-3
0.349
DRR-IMP-db50bf6e-5
0.349
SAD-SAT-3a925b8b-9
0.349
SAD-SAT-bc31ec01-4
0.348
MAK-UNK-7c9d1431-10
0.348
DRR-IMP-dff87f5e-8
0.348
YOI-UNK-090ea88a-1
0.347
VIK-SYN-bf9c9ac8-1
0.345
YOI-UNK-15f562e8-4
0.345
VIK-SYN-bf9c9ac8-2
0.345
MAK-UNK-704ed37c-13
0.345
MED-COV-4280ac29-6
0.344
SAD-SAT-3a925b8b-6
0.344
AAR-POS-d2a4d1df-32
0.344
MAR-TRE-6a44bbf2-4
0.344
LON-WEI-8f408cad-2
0.344
NIM-UNI-05f93fcc-1
0.344
MAK-UNK-6ca90168-4
0.344
JAY-UNK-11f5bdbd-1
0.344
MED-COV-4280ac29-12
0.343
MAK-UNK-4b073b5c-16
0.340
VIK-SYN-9a3d118a-1
0.339
VIK-SYN-9a3d118a-4
0.339
MAR-TRE-6a44bbf2-87
0.339
VIK-SYN-bf9c9ac8-7
0.339
MAR-TRE-6a44bbf2-21
0.339
MAK-UNK-7c9d1431-9
0.339
AHN-SAT-de2502ba-7
0.339
SAD-SAT-5b1897b2-2
0.338
MAK-UNK-6ca90168-9
0.338
MAK-UNK-d4768348-3
0.338