Molecular Properties | |
SMILES: | Cc1c(NS(C)(=O)=O)ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c12 |
MW: | 403.08 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 88.16 |
cLogP: | 3.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-08-07 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
RUB-POS-1325a9ea-3
0.640
MIC-UNK-50cce87d-3
0.640
MAT-POS-8feb6e35-2
0.625
EDJ-MED-c5ca5386-2
0.620
MIC-UNK-51049f1a-6
0.613
MIC-UNK-50cce87d-2
0.613
EDJ-MED-6ab52e52-1
0.613
RUB-POS-1325a9ea-9
0.603
MIC-UNK-50cce87d-4
0.603
MIC-UNK-50cce87d-1
0.597
RUB-POS-1325a9ea-2
0.597
EDJ-MED-c5ca5386-1
0.597
MAT-POS-29385cc1-4
0.595
MIC-UNK-668ac5de-1
0.575
PET-UNK-6314f867-3
0.575
MIC-UNK-51049f1a-5
0.575
MAT-POS-90fd5f68-12
0.571
MAT-POS-90fd5f68-30
0.571
MIC-UNK-7574fcc6-1
0.570
JOH-UNI-ee5ed7c8-3
0.568
JOH-UNI-3fc3434e-3
0.568
JOH-UNI-ee5ed7c8-1
0.554
JOH-UNI-3fc3434e-1
0.554
PET-UNK-c6bcc80b-7
0.547
PET-UNK-8df914d1-3
0.533
PET-UNK-e274cad4-6
0.525
RUB-POS-1325a9ea-4
0.524
MAT-POS-90fd5f68-27
0.523
MAT-POS-90fd5f68-28
0.523
TRY-UNI-714a760b-3
0.519
PET-UNK-7fb4f80a-2
0.517
MAT-POS-90fd5f68-10
0.511
JOH-UNI-ee5ed7c8-2
0.511
JOH-UNI-3fc3434e-2
0.511
ABI-SAT-4d06482b-2
0.506
MAT-POS-c20a539d-6
0.506
MAT-POS-29385cc1-3
0.506
MAT-POS-90fd5f68-7
0.506
MAT-POS-90fd5f68-25
0.506
PET-UNK-d899bab6-1
0.506
MAT-POS-90fd5f68-9
0.506
MAT-POS-90fd5f68-35
0.506
MAT-POS-c20a539d-7
0.506
MAT-POS-90fd5f68-29
0.500
ADA-UCB-6c2cb422-1
0.500
MAT-POS-bb423b95-2
0.500
MAT-POS-c20a539d-2
0.500
MAT-POS-90fd5f68-41
0.500
PET-UNK-7fb4f80a-1
0.494
MAT-POS-90fd5f68-36
0.494
EDJ-MED-00c1612e-1
0.494
PET-UNK-8df914d1-1
0.494
MAT-POS-bb423b95-1
0.494
TRY-UNI-714a760b-6
0.494
JAN-GHE-5a013bed-10
0.493
MIC-UNK-4fbd4db9-5
0.489
MAT-POS-c20a539d-8
0.489
MAT-POS-90fd5f68-17
0.489
MAT-POS-90fd5f68-21
0.489
EDJ-MED-239d8ca5-1
0.488
MAT-POS-90fd5f68-22
0.488
MAT-POS-90fd5f68-4
0.488
PET-UNK-e274cad4-1
0.488
RUB-POS-1325a9ea-14
0.488
MAT-POS-90fd5f68-40
0.488
PET-UNK-b1ef24dc-2
0.488
PET-UNK-b1ef24dc-1
0.488
RUB-POS-1325a9ea-12
0.488
EDG-MED-0da5ad92-21
0.487
PET-UNK-7fb4f80a-3
0.484
MAT-POS-90fd5f68-20
0.483
MAT-POS-90fd5f68-11
0.483
MIC-UNK-f2576da4-1
0.482
MAT-POS-90fd5f68-37
0.482
JIN-POS-6dc588a4-14
0.482
MAT-POS-f7918075-5
0.482
MAT-POS-bb423b95-8
0.482
MIC-UNK-fbef42b7-2
0.478
PET-UNK-7fb4f80a-4
0.478
MAT-POS-90fd5f68-18
0.478
MAT-POS-90fd5f68-39
0.477
MAT-POS-90fd5f68-19
0.477
JIN-POS-6dc588a4-11
0.476
MIC-UNK-4fbd4db9-6
0.474
MIC-UNK-4fbd4db9-1
0.474
EDJ-MED-239d8ca5-2
0.472
MAT-POS-90fd5f68-3
0.472
MIC-UNK-9dc9fcd1-1
0.472
MAT-POS-c20a539d-1
0.471
MAT-POS-c20a539d-4
0.471
RUB-POS-1325a9ea-19
0.469
ALP-POS-95b75b4d-8
0.468
SAM-UNK-2684b532-13
0.468
EDG-MED-0da5ad92-16
0.468
PET-UNK-b38839dc-2
0.466
PET-UNK-f4e47ebd-2
0.466
PET-UNK-d899bab6-3
0.466
PET-UNK-f4e47ebd-1
0.466
MAT-POS-90fd5f68-38
0.465
MIC-UNK-67d4a29a-3
0.465