Molecular Properties | |
SMILES: | N=S(=O)(CCN1CCN(C(=O)CCl)CC1)c1ccnc2cc(Cl)ccc12 |
MW: | 415.346 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 77.36 |
cLogP: | 2.67687 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Double acyclic N=N and N=S bonds
Filter90_N_double_bond_S
S=N_(not_ring)
AAR-POS-d2a4d1df-24
HYO-UNK-50298ba0-1
0.363
SAD-SAT-581007d4-3
0.348
STU-CHA-464c0256-1
0.347
PAU-UNI-8cdd41c7-1
0.346
SAD-SAT-581007d4-7
0.341
MAT-POS-2db6411e-2
0.341
MAK-UNK-7c9d1431-29
0.333
AAR-POS-d2a4d1df-35
0.329
MED-COV-4280ac29-15
0.329
HYO-UNK-49a60884-1
0.329
JOH-UNI-0e1753c1-3
0.329
DRR-IMP-38dce17f-6
0.329
MIH-UNI-e573136b-5
0.326
SAD-SAT-581007d4-1
0.326
SAD-SAT-581007d4-2
0.326
KAT-UNK-b2a0d5b1-1
0.322
JOO-PER-58e158bd-1
0.320
MED-COV-4280ac29-33
0.319
DRR-IMP-dff87f5e-3
0.318
DRR-IMP-38dce17f-5
0.318
AAR-POS-d2a4d1df-44
0.318
STU-CHA-6d5cfe2b-1
0.317
DRR-IMP-db50bf6e-3
0.317
DRR-IMP-dff87f5e-8
0.315
MAK-UNK-7c9d1431-10
0.315
MAK-UNK-af83ef51-31
0.311
JAY-UNK-11f5bdbd-1
0.310
MAK-UNK-7c9d1431-12
0.310
STE-KUL-2e0d2e88-2
0.309
STE-KUL-2e0d2e88-3
0.309
MAK-UNK-849bee6c-17
0.308
MAK-UNK-15efde89-1
0.307
DRR-IMP-38dce17f-1
0.306
SAD-SAT-581007d4-4
0.304
NIY-UNK-62612a68-4
0.304
SAD-SAT-bc31ec01-5
0.302
DAR-DIA-fb20be43-8
0.302
MED-COV-4280ac29-37
0.302
PAU-UNI-19862c28-1
0.302
GAB-FAC-880f6604-1
0.301
AHN-SAT-de2502ba-15
0.300
SAD-SAT-bc31ec01-4
0.300
MAR-TRE-6a44bbf2-32
0.300
ABB-MCD-f8003a30-1
0.300
BRU-LEF-ae0885ba-1
0.299
DAR-DIA-fb20be43-4
0.299
PAU-UNI-52c0427f-1
0.299
DRR-IMP-38dce17f-4
0.299
PED-UNI-89deb5c9-1
0.297
MED-COV-4280ac29-12
0.297
STE-KUL-2e0d2e88-1
0.297
SWA-SYN-d2e6fa14-6
0.297
SWA-SYN-6423ea73-6
0.297
MAK-UNK-849bee6c-2
0.296
MAK-UNK-849bee6c-3
0.296
MAK-UNK-7c9d1431-20
0.295
JIA-UNI-93b03cae-1
0.295
MAR-TRE-6a44bbf2-28
0.295
MAK-UNK-7c9d1431-23
0.295
MAK-UNK-849bee6c-5
0.295
MAK-UNK-7c9d1431-18
0.295
NIM-UNI-310206f0-12
0.294
DAV-CRI-d1e0885a-3
0.293
NEH-REV-107bcf72-5
0.292
MAK-UNK-212f693e-8
0.291
DRR-IMP-dff87f5e-4
0.291
AAR-POS-0daf6b7e-13
0.291
SAD-SAT-65574d3f-9
0.291
LON-WEI-8f408cad-7
0.291
MAK-UNK-7c9d1431-24
0.289
DRR-IMP-38dce17f-3
0.289
MAR-TRE-6a44bbf2-8
0.289
DRR-IMP-dff87f5e-5
0.289
AAR-POS-d2a4d1df-34
0.289
BEN-DND-03406596-6
0.289
BEN-DND-76ad4ac9-10
0.289
JOK-SYG-6ec557d2-1
0.288
MAK-UNK-7c9d1431-28
0.287
SAD-SAT-bc31ec01-1
0.287
DRR-IMP-38dce17f-7
0.287
MAK-UNK-6ca90168-14
0.287
MAK-UNK-6ca90168-15
0.287
AAR-POS-0daf6b7e-2
0.287
NIM-UNI-310206f0-1
0.287
MAK-UNK-af83ef51-1
0.287
MAK-UNK-849bee6c-9
0.287
DAV-CRI-d1e0885a-2
0.287
TAM-UNI-d1c3dd9f-5
0.287
TAM-UNI-d1c3dd9f-6
0.287
MAK-UNK-849bee6c-8
0.287
SEL-UNI-cd366922-7
0.286
MAK-UNK-849bee6c-13
0.284
DAR-DIA-fb20be43-9
0.284
DAR-DIA-fb20be43-12
0.284
SAD-SAT-3a925b8b-2
0.284
PEI-IMP-ca0b2813-2
0.284
SAD-SAT-581007d4-5
0.284
MAK-UNK-849bee6c-6
0.283
DAR-DIA-fb20be43-1
0.283
MED-COV-4280ac29-35
0.283