Molecule Details
| Molecular Properties | |
| SMILES: | CC(C)(C)c1ccncc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 302.12 |
| Fraction sp3: | 0.29 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 4.21 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-03-23 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
ADA-UCB-6c2cb422-1
SAM-UNK-2684b532-12
0.746
JIN-POS-6dc588a4-4
0.746
TRY-UNI-714a760b-6
0.631
ALP-POS-95b75b4d-8
0.625
SAM-UNK-2684b532-13
0.625
ALP-POS-95b75b4d-6
0.615
JIN-POS-6dc588a4-6
0.614
ALP-POS-95b75b4d-7
0.609
JIN-POS-6dc588a4-3
0.594
MAT-POS-bb423b95-5
0.594
JOH-UNI-abfda500-5
0.588
JOH-UNI-abfda500-4
0.588
ANN-UNI-98d2bf15-3
0.588
MAK-UNK-6ca90168-23
0.580
SAM-UNK-2684b532-11
0.571
ALP-POS-95b75b4d-5
0.556
MAT-POS-bb423b95-4
0.556
ALP-POS-0c2c77e1-1
0.548
MAT-POS-bb423b95-3
0.548
JAN-GHE-5a013bed-10
0.537
PET-UNK-8df914d1-3
0.536
MAT-POS-bb423b95-1
0.534
EDG-MED-0da5ad92-21
0.529
ABI-SAT-4d06482b-2
0.529
TRY-UNI-714a760b-3
0.521
MAT-POS-199e2e7c-1
0.520
MAT-POS-f7918075-5
0.520
MIC-UNK-668ac5de-1
0.519
MAT-POS-bb423b95-9
0.514
MIC-UNK-51049f1a-6
0.514
EDG-MED-0da5ad92-16
0.507
JIN-POS-6dc588a4-22
0.507
MIC-UNK-50cce87d-3
0.500
EDG-MED-0da5ad92-2
0.500
EDG-MED-0da5ad92-14
0.500
EDG-MED-0da5ad92-17
0.500
RUB-POS-1325a9ea-5
0.500
JAN-GHE-5a013bed-8
0.500
RUB-POS-1325a9ea-3
0.500
MIC-UNK-f2576da4-1
0.500
EDJ-MED-a364e151-1
0.494
MIC-UNK-08cd9c58-1
0.494
MAT-POS-f7918075-3
0.494
MIC-UNK-50cce87d-2
0.493
EDJ-MED-6ab52e52-1
0.493
MAT-POS-c20a539d-4
0.487
RUB-POS-1325a9ea-4
0.487
RUB-POS-1325a9ea-14
0.487
RUB-POS-1325a9ea-9
0.487
JIN-POS-6dc588a4-18
0.487
PET-UNK-e274cad4-1
0.487
MIC-UNK-50cce87d-4
0.487
RUB-POS-1325a9ea-13
0.487
JIN-POS-6dc588a4-13
0.487
PET-UNK-e274cad4-6
0.487
PET-UNK-b1ef24dc-2
0.487
MAT-POS-c20a539d-2
0.481
MAT-POS-90fd5f68-38
0.481
MIC-UNK-51049f1a-5
0.481
PET-UNK-b1ef24dc-4
0.481
JIN-POS-6dc588a4-10
0.481
JIN-POS-6dc588a4-14
0.481
RUB-POS-1325a9ea-11
0.481
MIC-UNK-50cce87d-1
0.481
MAT-POS-bb423b95-2
0.481
RUB-POS-1325a9ea-2
0.481
ADA-UCB-6c2cb422-1
0.480
MAT-POS-90fd5f68-2
0.476
JOH-UNI-3fc3434e-3
0.475
JOH-UNI-ee5ed7c8-3
0.475
RUB-POS-1325a9ea-8
0.474
RUB-POS-1325a9ea-15
0.474
EDJ-MED-a364e151-2
0.474
EDG-MED-0da5ad92-6
0.472
JAN-GHE-5a013bed-9
0.471
MAT-POS-c20a539d-1
0.469
EDJ-MED-239d8ca5-1
0.469
MAT-POS-8feb6e35-1
0.469
MAT-POS-90fd5f68-4
0.469
MAT-POS-14ad9fe9-1
0.469
MAT-POS-90fd5f68-22
0.469
MAT-POS-c20a539d-6
0.468
MAT-POS-29385cc1-3
0.468
EDJ-MED-a364e151-3
0.468
RUB-POS-1325a9ea-12
0.468
PET-UNK-b1ef24dc-1
0.468
PET-UNK-7f7e354d-7
0.468
MIC-UNK-d935700b-1
0.467
PET-UNK-8df914d1-4
0.465
MAT-POS-90fd5f68-37
0.463
PET-UNK-6314f867-3
0.463
MAT-POS-29385cc1-4
0.463
JIN-POS-6dc588a4-12
0.462
EDJ-MED-076d6e64-1
0.462
PET-UNK-b1ef24dc-3
0.462
MAT-POS-bb423b95-8
0.462
EDJ-MED-c5ca5386-1
0.462
AGN-NEW-c7b24fe3-4
0.459
AGN-NEW-c7b24fe3-5
0.459
EDG-MED-0da5ad92-12
0.458