Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Oc2ccsc2)CC1 |
MW: | 260.04 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 32.78 |
cLogP: | 1.42 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
acyclic NO not nitro
Hetero_hetero
LON-WEI-8f408cad-3
MAK-UNK-212f693e-1
0.660
MAK-UNK-212f693e-10
0.500
MAK-UNK-6ca90168-20
0.474
MAK-UNK-212f693e-8
0.458
LON-WEI-8f408cad-7
0.458
AAR-POS-0daf6b7e-13
0.458
MAT-POS-ee51dedd-2
0.443
MAK-UNK-212f693e-11
0.431
MAK-UNK-212f693e-13
0.429
AAR-POS-0daf6b7e-2
0.403
MAK-UNK-704ed37c-11
0.400
SAD-SAT-1b030f84-9
0.400
MAK-UNK-212f693e-12
0.397
MAK-UNK-212f693e-31
0.391
MAK-UNK-212f693e-32
0.391
LON-WEI-8f408cad-5
0.381
AAR-POS-0daf6b7e-17
0.381
MAK-UNK-e4a48a85-1
0.380
AAR-POS-0daf6b7e-12
0.375
MAK-UNK-212f693e-18
0.375
JOH-UNI-27ac80fd-23
0.375
MAK-UNK-e4a48a85-2
0.373
SAD-SAT-1b030f84-5
0.371
AAR-POS-0daf6b7e-16
0.371
MAK-UNK-e4a48a85-20
0.368
MAK-UNK-987948f6-2
0.367
AAR-POS-0daf6b7e-18
0.365
MAK-UNK-e4a48a85-21
0.364
MAK-UNK-15efde89-1
0.364
SAD-SAT-5b1897b2-9
0.364
MAK-UNK-e4a48a85-22
0.362
DRR-IMP-db50bf6e-3
0.361
SAD-SAT-bc31ec01-1
0.359
MAR-TRE-6a44bbf2-77
0.358
MAK-UNK-6ca90168-22
0.357
MAK-UNK-212f693e-23
0.355
AHN-SAT-de2502ba-8
0.355
DRR-IMP-db50bf6e-1
0.355
AAR-POS-d2a4d1df-25
0.355
SIM-SYN-f15aaa3a-1
0.355
AAR-POS-d2a4d1df-22
0.354
LON-WEI-8f408cad-3
0.354
MAR-TRE-6a44bbf2-52
0.354
AAR-POS-0daf6b7e-21
0.353
MAK-UNK-987948f6-5
0.352
MAK-UNK-212f693e-21
0.349
JOH-UNI-27ac80fd-25
0.349
SAD-SAT-5b1897b2-10
0.349
AAR-POS-d2a4d1df-32
0.348
MAR-TRE-6a44bbf2-4
0.348
LON-WEI-8f408cad-2
0.348
MAK-UNK-704ed37c-12
0.345
DRR-IMP-38dce17f-3
0.344
MAK-UNK-7c9d1431-24
0.344
AHN-SAT-de2502ba-7
0.344
SAD-SAT-5b1897b2-3
0.344
PAU-UNI-b2b6b158-1
0.342
MAK-UNK-7c9d1431-29
0.339
MAT-POS-162a9720-4
0.339
MAK-UNK-987948f6-3
0.338
MAK-UNK-212f693e-24
0.338
MAK-UNK-7c9d1431-28
0.338
MAR-TRE-6a44bbf2-12
0.338
JOH-UNI-27ac80fd-30
0.338
MAK-UNK-7c9d1431-17
0.338
MAK-UNK-e4a48a85-23
0.337
MAK-UNK-e4a48a85-24
0.337
NIM-UNI-05f93fcc-15
0.333
NIM-UNI-310206f0-6
0.333
AAR-POS-0daf6b7e-15
0.333
MAK-UNK-52a1ef4b-2
0.333
AAR-POS-d2a4d1df-29
0.333
MAR-TRE-6a44bbf2-61
0.333
NIM-UNI-05f93fcc-14
0.333
SAD-SAT-3a925b8b-5
0.333
SAD-SAT-3a925b8b-2
0.333
DRR-IMP-38dce17f-6
0.333
MAR-TRE-6a44bbf2-47
0.329
JOK-SYG-18591e8f-1
0.329
STE-KUL-2e0d2e88-1
0.329
SWA-SYN-d2e6fa14-1
0.328
MAK-UNK-212f693e-19
0.328
MAK-UNK-6ca90168-4
0.328
NIM-UNI-05f93fcc-1
0.328
MED-COV-4280ac29-6
0.328
SWA-SYN-6423ea73-1
0.328
MAK-UNK-212f693e-27
0.328
MAK-UNK-212f693e-33
0.328
SAD-SAT-3a925b8b-6
0.328
MAK-UNK-212f693e-2
0.328
YOI-UNK-15f562e8-4
0.328
VIK-SYN-bf9c9ac8-1
0.328
MAK-UNK-6ca90168-16
0.327
NIM-UNI-05f93fcc-5
0.325
JOH-UNI-27ac80fd-38
0.324
MAK-UNK-7c9d1431-22
0.324
DAV-CRI-d1e0885a-1
0.324
JOH-UNI-27ac80fd-32
0.324
NEH-REV-107bcf72-5
0.324
ASH-SAT-43770c7d-5
0.324