Molecular Properties | |
SMILES: | O=C(CCl)Nc1nc(=O)n(Cc2cccc(Cl)c2)cc1-c1cccnc1 |
MW: | 389.242 |
Fraction sp3: | 0.11 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 76.88 |
cLogP: | 3.1843 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Filter82_pyridinium
AAR-POS-d2a4d1df-1
MED-COV-4280ac29-28
0.757
NIM-UNI-7ba87d62-4
0.696
NIM-UNI-7ba87d62-3
0.646
NIM-UNI-7ba87d62-5
0.634
NIM-UNI-7ba87d62-2
0.627
NIM-UNI-7ba87d62-1
0.568
EDG-MED-0da5ad92-2
0.373
ALP-POS-95b75b4d-8
0.349
SAM-UNK-2684b532-13
0.349
JIN-POS-6dc588a4-16
0.340
DAR-DIA-bd041b9b-29
0.340
DAR-DIA-bd041b9b-19
0.337
SAD-SAT-7d5528d9-6
0.330
RUB-POS-1325a9ea-12
0.330
SAD-SAT-c989feaa-3
0.330
ALP-POS-0c2c77e1-1
0.330
MAT-POS-bb423b95-3
0.330
SAD-SAT-7d5528d9-7
0.327
EDJ-MED-c8e7a002-16
0.326
PET-UNK-e8c7a26f-2
0.326
TRY-UNI-714a760b-6
0.326
JAN-GHE-5a013bed-8
0.326
SAD-SAT-7d5528d9-35
0.324
MIC-UNK-5ce21166-1
0.321
JIN-POS-6dc588a4-2
0.319
MIC-UNK-51049f1a-6
0.319
DAN-LON-a5fc619e-1
0.319
VLA-UNK-411a133b-1
0.318
JAN-GHE-5a013bed-9
0.318
MAR-TRE-b77b7921-33
0.317
DAN-LON-a5fc619e-7
0.316
PET-UNK-6314f867-3
0.316
EDJ-MED-6e43a462-7
0.316
MAK-UNK-6ca90168-23
0.315
ALP-POS-95b75b4d-6
0.315
RUB-POS-1325a9ea-3
0.312
MIC-UNK-50cce87d-3
0.312
SAM-UNK-2684b532-11
0.312
ALP-POS-f13221e1-4
0.312
MAK-UNK-ca11b4f7-1
0.312
EDJ-MED-c5ca5386-2
0.310
PET-UNK-94460c07-6
0.309
JIN-POS-6dc588a4-8
0.309
ALP-POS-95b75b4d-7
0.309
DAR-DIA-5d6f1b43-33
0.306
DAR-DIA-23aa0b97-14
0.306
JOR-UNI-2fc98d0b-7
0.306
WAR-XCH-eb7b662f-7
0.306
JAN-GHE-83b26c96-19
0.306
JOH-UNI-0e1753c1-3
0.306
HYO-UNK-49a60884-1
0.306
MED-COV-4280ac29-15
0.306
AAR-POS-d2a4d1df-35
0.306
EDJ-MED-c8e7a002-12
0.305
MIC-UNK-50cce87d-2
0.305
EDJ-MED-6ab52e52-1
0.305
MAT-POS-bb423b95-1
0.305
MAT-POS-4211dce8-1
0.305
JOH-UNI-abfda500-5
0.304
AGN-NEW-c7b24fe3-4
0.304
JOH-UNI-abfda500-4
0.304
ANN-UNI-98d2bf15-3
0.304
PET-UNK-8df914d1-4
0.303
EDJ-MED-49816e9b-2
0.303
MIC-UNK-51049f1a-5
0.303
CHR-SOS-7098f804-12
0.302
DAR-DIA-bd041b9b-17
0.302
AGN-NEW-c7b24fe3-1
0.301
JAN-GHE-83b26c96-16
0.301
KEI-TRE-d5e2018a-16
0.300
EDG-MED-0da5ad92-14
0.300
JOH-UNI-3fc3434e-3
0.300
JOH-UNI-ee5ed7c8-3
0.300
MAT-POS-bb423b95-2
0.299
MAT-POS-199e2e7c-2
0.299
MIC-UNK-50cce87d-1
0.299
JIN-POS-6dc588a4-24
0.299
JIN-POS-6dc588a4-14
0.299
RUB-POS-1325a9ea-2
0.299
EDJ-MED-076d6e64-1
0.299
EDJ-MED-6e43a462-5
0.299
MAT-POS-199e2e7c-1
0.299
JIN-POS-6dc588a4-15
0.299
MAT-POS-f7918075-5
0.299
JOH-UNI-23d9e1b1-1
0.299
DAR-DIA-23aa0b97-16
0.299
MAK-UNK-6ca90168-13
0.299
PET-UNK-94460c07-5
0.298
RUB-POS-1325a9ea-19
0.298
JIN-POS-6dc588a4-3
0.298
SAM-UNK-2684b532-12
0.298
JIN-POS-6dc588a4-4
0.298
MIC-UNK-d935700b-1
0.298
MAT-POS-bb423b95-5
0.298
EDG-MED-0da5ad92-15
0.297
MIC-UNK-08cd9c58-1
0.296
ADA-UNI-f8e79267-11
0.296
ADA-UNI-f8e79267-12
0.296
EDJ-MED-a364e151-1
0.296
MAT-POS-f7918075-3
0.296