Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2ccc(OC(F)(F)F)cc12 |
| MW: | 380.05 |
| Fraction sp3: | 0.11 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 51.22 |
| cLogP: | 4.97 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-08-25 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
high halogen content (>3)
MAT-POS-90fd5f68-23
0.747
PET-UNK-8df914d1-1
0.747
EDJ-MED-00c1612e-1
0.747
MAT-POS-90fd5f68-6
0.718
PET-UNK-7fb4f80a-2
0.700
MAT-POS-90fd5f68-31
0.659
MAT-POS-90fd5f68-33
0.655
RUB-POS-1325a9ea-4
0.654
MAT-POS-90fd5f68-37
0.646
MAT-POS-90fd5f68-40
0.633
MAT-POS-90fd5f68-25
0.630
PET-UNK-d899bab6-1
0.630
MAT-POS-90fd5f68-29
0.622
MAT-POS-90fd5f68-19
0.617
MAT-POS-90fd5f68-32
0.615
MAT-POS-90fd5f68-39
0.614
MAT-POS-90fd5f68-22
0.610
MAT-POS-90fd5f68-20
0.602
MAT-POS-90fd5f68-34
0.596
MAT-POS-90fd5f68-36
0.593
ADA-UCB-6c2cb422-1
0.590
MAT-POS-90fd5f68-27
0.588
MAT-POS-90fd5f68-21
0.588
MAT-POS-90fd5f68-35
0.588
MAT-POS-f7918075-5
0.588
MAT-POS-90fd5f68-28
0.586
MAT-POS-90fd5f68-30
0.581
MAT-POS-29385cc1-1
0.570
PET-UNK-b38839dc-1
0.570
MAT-POS-c20a539d-7
0.568
MAT-POS-c20a539d-2
0.566
MAT-POS-bb423b95-1
0.562
MAT-POS-90fd5f68-5
0.562
MAT-POS-90fd5f68-26
0.562
MAT-POS-29385cc1-2
0.558
MAT-POS-c20a539d-1
0.553
PET-UNK-b38839dc-2
0.547
PET-UNK-f4e47ebd-1
0.547
JIN-POS-6dc588a4-11
0.542
PET-UNK-d899bab6-2
0.540
MAT-POS-c20a539d-6
0.536
MAT-POS-29385cc1-3
0.536
MAT-POS-bb423b95-8
0.530
MAT-POS-90fd5f68-38
0.529
PET-UNK-d899bab6-3
0.529
PET-UNK-7fb4f80a-3
0.527
PET-UNK-c6bcc80b-7
0.522
PET-UNK-7fb4f80a-1
0.522
PET-UNK-7fb4f80a-4
0.522
RUB-POS-1325a9ea-13
0.518
MAT-POS-c20a539d-4
0.517
MAT-POS-90fd5f68-4
0.517
MAT-POS-90fd5f68-7
0.517
MAT-POS-c0609ef7-1
0.517
MAT-POS-c20a539d-3
0.517
MAK-UNK-ffc90da7-6
0.515
EDJ-MED-c5ca5386-1
0.512
PET-UNK-f4e47ebd-2
0.511
MAT-POS-90fd5f68-11
0.511
MAT-POS-90fd5f68-41
0.511
PET-UNK-bb7ffe78-2
0.511
MAT-POS-90fd5f68-13
0.511
MIC-UNK-7574fcc6-1
0.506
MAT-POS-90fd5f68-1
0.506
MAT-POS-90fd5f68-2
0.506
MAT-POS-90fd5f68-15
0.500
PET-UNK-6314f867-2
0.500
MAT-POS-c20a539d-5
0.500
MAT-POS-c20a539d-8
0.500
JIN-POS-6dc588a4-13
0.500
MAT-POS-90fd5f68-12
0.495
MAT-POS-29385cc1-4
0.494
MIC-UNK-668ac5de-1
0.494
PET-UNK-b1ef24dc-4
0.494
PET-UNK-b1ef24dc-3
0.494
MAT-POS-90fd5f68-10
0.489
MAT-POS-90fd5f68-18
0.489
JOH-UNI-3fc3434e-3
0.489
JOH-UNI-ee5ed7c8-3
0.489
MIC-UNK-08cd9c58-1
0.488
MAT-POS-f7918075-3
0.488
MAT-POS-bb423b95-9
0.488
BEN-DND-c852c98b-2
0.485
MAT-POS-90fd5f68-8
0.484
MIC-UNK-9dc9fcd1-1
0.484
MAT-POS-90fd5f68-9
0.484
MAT-POS-90fd5f68-3
0.484
MAT-POS-90fd5f68-17
0.484
EDJ-MED-c5ca5386-2
0.483
JIN-POS-6dc588a4-18
0.483
PET-UNK-7f7e354d-7
0.482
JIN-POS-6dc588a4-6
0.482
JIN-POS-6dc588a4-22
0.482
PET-UNK-e274cad4-6
0.482
MAT-POS-90fd5f68-14
0.480
MIC-UNK-9dc9fcd1-3
0.479
MIC-UNK-fbef42b7-1
0.479
RUB-POS-1325a9ea-5
0.477
RUB-POS-1325a9ea-2
0.477
JOH-UNI-6fede743-1
0.477