Molecule Details
| Molecular Properties | |
| SMILES: | COc1cccc2c(NC(=O)Cc3cccc(Cl)c3)cncc12 |
| 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-5
0.690
MAT-POS-bb423b95-9
0.662
JIN-POS-6dc588a4-13
0.653
MAT-POS-c20a539d-2
0.618
PET-UNK-b38839dc-2
0.595
MIC-UNK-08cd9c58-1
0.592
MAT-POS-f7918075-3
0.592
JIN-POS-6dc588a4-3
0.589
MAT-POS-29385cc1-2
0.588
PET-UNK-b38839dc-1
0.580
MAT-POS-29385cc1-1
0.580
PET-UNK-f4e47ebd-2
0.575
PET-UNK-f4e47ebd-1
0.575
PET-UNK-8df914d1-1
0.570
EDJ-MED-00c1612e-1
0.570
RUB-POS-1325a9ea-9
0.564
MIC-UNK-50cce87d-4
0.564
MAT-POS-c20a539d-1
0.562
ADA-UCB-6c2cb422-1
0.560
MAT-POS-f7918075-5
0.558
MAT-POS-bb423b95-1
0.553
JIN-POS-6dc588a4-23
0.551
JIN-POS-6dc588a4-22
0.545
PET-UNK-7f7e354d-7
0.545
PET-UNK-b1ef24dc-4
0.538
MAT-POS-90fd5f68-41
0.537
TRY-UNI-714a760b-6
0.534
JIN-POS-6dc588a4-11
0.532
RUB-POS-1325a9ea-15
0.532
MAT-POS-90fd5f68-39
0.530
RUB-POS-1325a9ea-13
0.526
RUB-POS-1325a9ea-4
0.525
MAT-POS-29385cc1-3
0.525
MAT-POS-c20a539d-6
0.525
ALP-POS-95b75b4d-6
0.521
JIN-POS-6dc588a4-12
0.519
PET-UNK-b1ef24dc-3
0.519
MAT-POS-bb423b95-8
0.519
MAT-POS-90fd5f68-37
0.519
PET-UNK-d899bab6-3
0.518
MAT-POS-90fd5f68-20
0.518
PET-UNK-7fb4f80a-3
0.517
JAN-GHE-5a013bed-10
0.514
PET-UNK-8df914d1-3
0.514
MAT-POS-90fd5f68-19
0.512
PET-UNK-7fb4f80a-4
0.511
ALP-POS-95b75b4d-8
0.507
SAM-UNK-2684b532-13
0.507
MAT-POS-bb423b95-5
0.506
JIN-POS-6dc588a4-6
0.506
MAT-POS-90fd5f68-40
0.506
MAT-POS-90fd5f68-7
0.506
PET-UNK-d899bab6-1
0.506
MAT-POS-90fd5f68-22
0.506
MAT-POS-c0609ef7-1
0.506
MAT-POS-90fd5f68-4
0.506
MAT-POS-90fd5f68-25
0.506
MAT-POS-c20a539d-4
0.506
MAT-POS-90fd5f68-35
0.506
MAT-POS-90fd5f68-21
0.506
TRY-UNI-714a760b-3
0.500
MAT-POS-90fd5f68-38
0.500
PET-UNK-7fb4f80a-2
0.500
PET-UNK-c6bcc80b-7
0.494
PET-UNK-7fb4f80a-1
0.494
MAT-POS-90fd5f68-2
0.494
MAT-POS-90fd5f68-6
0.494
PET-UNK-d899bab6-2
0.494
MAT-POS-90fd5f68-1
0.494
RUB-POS-1325a9ea-17
0.494
MAK-UNK-ffc90da7-3
0.489
MAK-UNK-ffc90da7-8
0.489
MAT-POS-c20a539d-3
0.488
MAT-POS-90fd5f68-3
0.488
MAT-POS-90fd5f68-9
0.488
MAT-POS-90fd5f68-17
0.488
MAT-POS-c20a539d-8
0.488
MAT-POS-90fd5f68-27
0.488
PET-UNK-6314f867-2
0.488
MAT-POS-c20a539d-5
0.488
MAT-POS-f7918075-6
0.487
EDJ-MED-50fe53e8-2
0.487
EDJ-MED-a364e151-3
0.487
RUB-POS-1325a9ea-19
0.487
ABI-SAT-4d06482b-2
0.487
EDG-MED-0da5ad92-16
0.486
MAT-POS-90fd5f68-24
0.483
MAT-POS-90fd5f68-12
0.483
MAT-POS-90fd5f68-30
0.483
MAT-POS-90fd5f68-11
0.482
MAT-POS-90fd5f68-29
0.482
JIN-POS-6dc588a4-24
0.481
JIN-POS-6dc588a4-10
0.481
RUB-POS-1325a9ea-3
0.481
MIC-UNK-50cce87d-3
0.481
JOH-UNI-6fede743-1
0.481
JOH-UNI-abfda500-5
0.481
ANN-UNI-98d2bf15-3
0.481
JOH-UNI-abfda500-4
0.481
MAT-POS-90fd5f68-36
0.477