Molecular Properties | |
SMILES: | COc1cccc2cncc(NC(=O)Cc3cccc(Cl)c3)c12 |
MW: | 326.08 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 51.22 |
cLogP: | 4.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-03-23 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
ADA-UCB-6c2cb422-1
RUB-POS-1325a9ea-9
1.000
MIC-UNK-51049f1a-6
0.686
RUB-POS-1325a9ea-2
0.667
RUB-POS-1325a9ea-3
0.667
MIC-UNK-50cce87d-1
0.667
MIC-UNK-50cce87d-3
0.667
EDJ-MED-6ab52e52-1
0.662
MIC-UNK-50cce87d-2
0.662
MIC-UNK-668ac5de-1
0.618
PET-UNK-6314f867-3
0.618
MIC-UNK-51049f1a-5
0.618
JOH-UNI-ee5ed7c8-3
0.610
JOH-UNI-3fc3434e-3
0.610
MAT-POS-8feb6e35-1
0.603
EDJ-MED-c5ca5386-1
0.600
MAT-POS-c20a539d-2
0.597
JOH-UNI-ee5ed7c8-1
0.595
JOH-UNI-3fc3434e-1
0.595
MIC-UNK-67d4a29a-4
0.582
MAT-POS-29385cc1-4
0.577
PET-UNK-b38839dc-2
0.575
MIC-UNK-7574fcc6-1
0.571
MAT-POS-29385cc1-2
0.568
JIN-POS-6dc588a4-3
0.568
JOH-UNI-3fc3434e-2
0.565
JOH-UNI-ee5ed7c8-2
0.565
JIN-POS-6dc588a4-18
0.564
EDJ-MED-c5ca5386-2
0.562
MAT-POS-29385cc1-1
0.561
PET-UNK-b38839dc-1
0.561
EDJ-MED-00c1612e-1
0.550
PET-UNK-8df914d1-1
0.550
MAT-POS-8feb6e35-2
0.549
PET-UNK-e274cad4-6
0.545
MAT-POS-c20a539d-1
0.543
MAT-POS-90fd5f68-41
0.537
PET-UNK-f4e47ebd-1
0.537
PET-UNK-f4e47ebd-2
0.537
PET-UNK-8df914d1-3
0.534
TRY-UNI-714a760b-3
0.520
ADA-UCB-6c2cb422-1
0.519
MAT-POS-bb423b95-8
0.519
JAN-GHE-5a013bed-10
0.514
MAT-POS-bb423b95-1
0.513
JIN-POS-6dc588a4-11
0.512
MAT-POS-90fd5f68-39
0.512
PET-UNK-b1ef24dc-1
0.506
PET-UNK-b1ef24dc-2
0.506
RUB-POS-1325a9ea-12
0.506
MAT-POS-c20a539d-6
0.506
PET-UNK-e274cad4-1
0.506
MAT-POS-29385cc1-3
0.506
RUB-POS-1325a9ea-14
0.506
RUB-POS-1325a9ea-4
0.506
EDJ-MED-239d8ca5-1
0.506
MAT-POS-90fd5f68-25
0.506
MAT-POS-c20a539d-4
0.506
MAT-POS-90fd5f68-7
0.506
PET-UNK-d899bab6-1
0.506
EDJ-MED-239d8ca5-2
0.506
MAT-POS-90fd5f68-21
0.506
MIC-UNK-f2576da4-1
0.500
MAT-POS-90fd5f68-37
0.500
MAT-POS-90fd5f68-20
0.500
JIN-POS-6dc588a4-14
0.500
MAT-POS-f7918075-5
0.500
MAT-POS-bb423b95-2
0.500
MAT-POS-90fd5f68-19
0.494
TRY-UNI-714a760b-6
0.493
MAT-POS-90fd5f68-3
0.488
MAT-POS-90fd5f68-4
0.488
MAT-POS-90fd5f68-22
0.488
MAT-POS-90fd5f68-40
0.488
JIN-POS-6dc588a4-6
0.487
RUB-POS-1325a9ea-19
0.487
ABI-SAT-4d06482b-2
0.487
SAM-UNK-2684b532-13
0.486
ALP-POS-95b75b4d-8
0.486
PET-UNK-7fb4f80a-3
0.483
PET-UNK-7fb4f80a-2
0.483
PET-UNK-d899bab6-3
0.482
MAT-POS-90fd5f68-38
0.482
RUB-POS-1325a9ea-5
0.481
MAT-POS-199e2e7c-1
0.481
RUB-POS-1325a9ea-11
0.481
JOH-UNI-abfda500-5
0.481
ANN-UNI-98d2bf15-3
0.481
ALP-POS-95b75b4d-6
0.480
PET-UNK-7fb4f80a-4
0.478
PET-UNK-7fb4f80a-1
0.477
MAT-POS-90fd5f68-10
0.477
MAT-POS-90fd5f68-2
0.477
MAT-POS-90fd5f68-6
0.477
PET-UNK-d899bab6-2
0.477
MAT-POS-90fd5f68-1
0.476
JIN-POS-6dc588a4-23
0.476
MAK-UNK-ffc90da7-8
0.473
MAT-POS-90fd5f68-28
0.472
MAT-POS-90fd5f68-35
0.471
MAT-POS-90fd5f68-27
0.471