Molecular Properties | |
SMILES: | CS(=O)(=O)NCC(c1ccccc1)N1CCN(C(=O)CCl)CC1 |
MW: | 359.879 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 69.72 |
cLogP: | 0.6599 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
AAR-POS-d2a4d1df-24
SEL-UNI-cd366922-9
0.667
SIM-SYN-f15aaa3a-1
0.508
MAK-UNK-90d0606b-3
0.500
MAR-TRE-6a44bbf2-92
0.470
GIA-UNK-20b63697-7
0.463
GIA-UNK-7337c2f3-7
0.457
GIA-UNK-20b63697-5
0.452
GIA-UNK-7337c2f3-3
0.451
GIA-UNK-20b63697-6
0.451
GIA-UNK-7337c2f3-1
0.443
GIA-UNK-20b63697-1
0.443
GIA-UNK-7337c2f3-5
0.438
GIA-UNK-7337c2f3-8
0.438
GIA-UNK-7337c2f3-9
0.438
GIA-UNK-7337c2f3-4
0.437
SEL-UNI-cd366922-5
0.437
GIA-UNK-20b63697-3
0.432
GIA-UNK-20b63697-2
0.432
GIA-UNK-20b63697-4
0.432
GIA-UNK-4de5abb1-1
0.431
GIA-UNK-7337c2f3-6
0.431
GIA-UNK-7337c2f3-10
0.431
GIA-UNK-20b63697-8
0.427
DAR-DIA-3e9bbd81-12
0.425
GIA-UNK-7337c2f3-2
0.425
GIA-UNK-7337c2f3-12
0.419
PAU-WEI-b9b69149-1
0.418
DAR-DIA-3e9bbd81-11
0.416
MAK-UNK-af83ef51-2
0.408
MAK-UNK-7c9d1431-24
0.406
DRR-IMP-38dce17f-3
0.406
GIA-UNK-20b63697-9
0.405
PAU-WEI-b9b69149-4
0.405
AHN-SAT-de2502ba-7
0.403
MAR-TRE-6a44bbf2-21
0.403
MAK-UNK-7c9d1431-9
0.403
GIA-UNK-7337c2f3-11
0.403
GIA-UNK-7337c2f3-13
0.397
MAK-UNK-10dfa458-39
0.397
MAK-UNK-6ca90168-11
0.397
GIA-UNK-7337c2f3-15
0.392
MED-COV-4280ac29-6
0.386
MAK-UNK-7c9d1431-23
0.386
MAR-TRE-6a44bbf2-28
0.386
MAK-UNK-987948f6-2
0.385
NIM-UNI-ed9fc491-3
0.379
GIA-UNK-7337c2f3-14
0.378
MAK-UNK-7c9d1431-27
0.375
MAR-TRE-6a44bbf2-52
0.371
LON-WEI-8f408cad-3
0.371
AAR-POS-d2a4d1df-22
0.371
PAU-WEI-b9b69149-3
0.369
TAM-UNI-d1c3dd9f-4
0.369
MED-COV-dea4df70-1
0.367
MAK-UNK-7c9d1431-12
0.366
AHN-SAT-de2502ba-14
0.366
SAD-SAT-65574d3f-1
0.366
MED-COV-4280ac29-21
0.366
STE-KUL-2e0d2e88-1
0.365
AHN-SAT-de2502ba-1
0.364
MAK-UNK-27459e11-13
0.364
YOI-UNK-a533afbc-6
0.362
YOI-UNK-12211982-6
0.362
MAK-UNK-15efde89-1
0.361
MAK-UNK-3e0761f8-4
0.360
DUN-NEW-f8ce3686-22
0.360
PAU-WEI-b9b69149-6
0.360
MED-COV-4280ac29-23
0.359
AAR-POS-d2a4d1df-34
0.356
MAR-TRE-6a44bbf2-77
0.356
DRR-IMP-dff87f5e-5
0.356
MAR-TRE-6a44bbf2-8
0.356
MED-COV-4280ac29-7
0.354
AAR-POS-0daf6b7e-21
0.351
MAK-UNK-af83ef51-1
0.351
GIA-UNK-4de5abb1-4
0.350
MAK-UNK-27459e11-6
0.348
JIA-UNI-93b03cae-1
0.347
SWA-SYN-d2e6fa14-1
0.347
AAR-POS-d2a4d1df-24
0.347
AAR-POS-0daf6b7e-5
0.347
MAK-UNK-7c9d1431-20
0.347
SWA-SYN-6423ea73-1
0.347
SWA-SYN-6423ea73-2
0.347
SWA-SYN-d2e6fa14-2
0.347
MED-COV-4280ac29-18
0.346
MIH-UNI-e573136b-7
0.346
MAK-UNK-704ed37c-12
0.344
VIK-SYN-9a3d118a-1
0.344
PAU-WEI-b9b69149-7
0.343
DRR-IMP-38dce17f-1
0.343
MAK-UNK-6ca90168-10
0.343
DRR-IMP-dff87f5e-4
0.343
BEN-DND-03406596-10
0.342
LON-WEI-8f408cad-4
0.342
KAT-UNK-48001bce-1
0.342
MAR-TRE-6a44bbf2-18
0.342
AAR-POS-d2a4d1df-23
0.342
KAT-MCD-525c981a-1
0.342
PAU-WEI-b9b69149-2
0.341