Molecular Properties | |
SMILES: | O=C(Cl)N1CCN(Cc2ccsc2)CC1 |
MW: | 244.04 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 23.55 |
cLogP: | 2.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
carbonyl_halide
acid halide
Acyl halides and analogues
Filter52_NC_haloamine
Filter2_acyl_phosphyl_sulfonyl_halide
acyl halide
N-C-Hal or cyano methyl
acid halide
LON-WEI-8f408cad-3
MAK-UNK-6435e6c2-3
0.711
LON-WEI-8f408cad-7
0.688
AAR-POS-0daf6b7e-13
0.688
MAK-UNK-212f693e-8
0.688
MAK-UNK-10dfa458-20
0.673
MAK-UNK-212f693e-7
0.667
MAK-UNK-10dfa458-1
0.653
MAK-UNK-212f693e-15
0.528
AAR-POS-d2a4d1df-7
0.520
MAK-UNK-902cc841-2
0.464
MAK-UNK-a7992eb3-15
0.419
JAR-KUA-41bd5a3d-15
0.403
MAK-UNK-e4a48a85-20
0.394
MAK-UNK-e4a48a85-21
0.389
MAK-UNK-e4a48a85-22
0.387
MAK-UNK-a7992eb3-16
0.379
MAK-UNK-3f402c2b-22
0.375
MAK-UNK-009ebe36-10
0.373
MAK-UNK-212f693e-20
0.373
MAK-UNK-212f693e-16
0.368
MAK-UNK-acefcb18-31
0.364
MAK-UNK-212f693e-21
0.356
MAK-UNK-212f693e-32
0.355
JUL-TUD-06b2044f-29
0.352
DRR-IMP-38dce17f-3
0.351
MAK-UNK-7c9d1431-24
0.351
MAK-UNK-a7992eb3-14
0.349
MAK-UNK-a7992eb3-1
0.345
MAK-UNK-7c9d1431-29
0.345
SAD-SAT-1f400d17-1
0.345
AHN-SAT-02ef6d10-9
0.344
MAK-UNK-e4a48a85-16
0.340
MAK-UNK-6ca90168-20
0.339
SAD-SAT-1f400d17-6
0.339
DRR-IMP-38dce17f-6
0.339
MAK-UNK-212f693e-34
0.339
MAK-UNK-212f693e-35
0.339
MAK-UNK-e4a48a85-25
0.337
KIM-UNI-2ee5d8f9-1
0.333
ANT-OPE-d972fbad-1
0.333
MAK-UNK-31051d4e-6
0.325
MAK-UNK-a7992eb3-13
0.325
MAK-UNK-e4a48a85-24
0.325
MAK-UNK-6ca90168-14
0.323
DRR-IMP-38dce17f-7
0.323
LON-WEI-8f408cad-5
0.323
AAR-POS-0daf6b7e-17
0.323
SAD-SAT-bc31ec01-1
0.323
MAK-UNK-a7992eb3-11
0.322
MAK-UNK-6435e6c2-2
0.322
MAK-UNK-6ca90168-19
0.321
MAK-UNK-a7992eb3-10
0.321
MED-COV-4280ac29-15
0.317
MAK-UNK-10dfa458-21
0.317
MAT-POS-ee51dedd-2
0.317
AAR-POS-d2a4d1df-35
0.317
JOH-UNI-0e1753c1-3
0.317
JOH-UNI-0e1753c1-2
0.317
HYO-UNK-49a60884-1
0.317
DRR-IMP-38dce17f-4
0.317
JAR-KUA-8c13982c-7
0.317
PAU-UNI-8cdd41c7-1
0.317
MAK-UNK-a7992eb3-17
0.316
MAK-UNK-e4a48a85-8
0.315
JOK-SYG-18591e8f-1
0.313
WIL-LEE-23e8b574-4
0.312
MAK-UNK-7c9d1431-20
0.312
SAD-SAT-581007d4-7
0.312
MAT-POS-2db6411e-2
0.312
JIA-UNI-93b03cae-1
0.312
AAR-POS-d2a4d1df-24
0.312
WIL-LEE-23e8b574-2
0.312
MAK-UNK-e4a48a85-1
0.310
MAK-UNK-7c9d1431-14
0.309
MAK-UNK-7c9d1431-16
0.309
MAR-TRE-6a44bbf2-54
0.309
MAK-UNK-31051d4e-5
0.309
MAK-UNK-e4a48a85-23
0.309
JOH-UNI-23d9e1b1-1
0.308
MAK-UNK-6ca90168-13
0.308
SAD-SAT-581007d4-8
0.308
DRR-IMP-38dce17f-2
0.308
MAK-UNK-4c6b313a-1
0.305
MAK-UNK-6435e6c2-11
0.305
MAK-UNK-6435e6c2-10
0.305
MED-COV-4280ac29-33
0.304
ANT-OPE-c0c3e7cc-1
0.303
MAK-UNK-10dfa458-2
0.302
AAR-POS-0daf6b7e-2
0.302
MAK-UNK-af83ef51-1
0.300
PAT-UNK-b2d83456-2
0.299
MAK-UNK-7c9d1431-21
0.299
MAK-UNK-212f693e-9
0.297
JOH-UNI-27ac80fd-23
0.297
MAK-UNK-10dfa458-46
0.297
AAR-POS-0daf6b7e-12
0.297
SAD-SAT-2fd372d1-4
0.295
MAK-UNK-212f693e-17
0.295
SAD-SAT-b55127ae-4
0.292
SAD-SAT-581007d4-2
0.292