Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2c1OCO2 |
| MW: | 290.05 |
| Fraction sp3: | 0.14 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 60.45 |
| cLogP: | 2.64 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
EDJ-MED-a364e151-2
0.735
EDJ-MED-976da9a6-1
0.564
PET-UNK-7f7e354d-7
0.547
EDJ-MED-976da9a6-2
0.544
JAN-GHE-5a013bed-10
0.536
PET-UNK-8df914d1-3
0.535
TRY-UNI-714a760b-3
0.521
ADA-UCB-6c2cb422-1
0.520
JIN-POS-6dc588a4-12
0.519
RUB-POS-1325a9ea-11
0.519
PET-UNK-b1ef24dc-3
0.519
MAT-POS-bb423b95-1
0.513
MAT-POS-bb423b95-9
0.513
ALP-POS-95b75b4d-8
0.507
SAM-UNK-2684b532-13
0.507
RUB-POS-1325a9ea-13
0.506
JIN-POS-6dc588a4-22
0.506
JIN-POS-6dc588a4-13
0.506
RUB-POS-1325a9ea-4
0.506
JOH-UNI-3fc3434e-4
0.506
JOH-UNI-ee5ed7c8-4
0.506
MAT-POS-90fd5f68-37
0.500
ALP-POS-95b75b4d-6
0.500
PET-UNK-b1ef24dc-4
0.500
RUB-POS-1325a9ea-5
0.500
MAT-POS-f7918075-5
0.500
MAT-POS-90fd5f68-38
0.500
MAT-POS-bb423b95-8
0.500
MAT-POS-90fd5f68-1
0.494
MIC-UNK-08cd9c58-1
0.494
MAT-POS-f7918075-3
0.494
JIN-POS-6dc588a4-11
0.494
RUB-POS-1325a9ea-15
0.494
MIC-UNK-50cce87d-2
0.494
MAT-POS-bb423b95-4
0.494
ALP-POS-95b75b4d-5
0.494
EDJ-MED-6ab52e52-1
0.494
TRY-UNI-714a760b-6
0.493
MAT-POS-c20a539d-3
0.488
MAT-POS-90fd5f68-3
0.488
MAT-POS-90fd5f68-7
0.488
MAT-POS-90fd5f68-25
0.488
MAT-POS-c20a539d-4
0.488
PET-UNK-d899bab6-1
0.488
JIN-POS-6dc588a4-18
0.487
MAT-POS-90fd5f68-40
0.487
MAT-POS-29385cc1-3
0.487
MAT-POS-c20a539d-6
0.487
PET-UNK-b1ef24dc-1
0.487
PET-UNK-b1ef24dc-2
0.487
ABI-SAT-4d06482b-2
0.486
PET-UNK-d899bab6-3
0.482
MAT-POS-c20a539d-2
0.481
MAT-POS-199e2e7c-1
0.481
JIN-POS-6dc588a4-14
0.481
JIN-POS-6dc588a4-10
0.481
ANN-UNI-98d2bf15-3
0.480
JOH-UNI-abfda500-5
0.480
JOH-UNI-abfda500-4
0.480
MAT-POS-90fd5f68-10
0.477
PET-UNK-d899bab6-2
0.476
MAT-POS-90fd5f68-2
0.476
MAT-POS-90fd5f68-6
0.476
PET-UNK-8df914d1-1
0.476
EDJ-MED-00c1612e-1
0.476
MAT-POS-90fd5f68-19
0.476
EDJ-MED-a364e151-1
0.475
MIC-UNK-51049f1a-6
0.474
MAK-UNK-6ca90168-23
0.474
JAN-GHE-5a013bed-9
0.471
MAT-POS-90fd5f68-28
0.471
MAT-POS-90fd5f68-8
0.471
MAT-POS-c20a539d-8
0.471
EDJ-MED-239d8ca5-2
0.471
MAT-POS-90fd5f68-21
0.471
MAT-POS-90fd5f68-17
0.471
MIC-UNK-9dc9fcd1-1
0.471
MAT-POS-c20a539d-1
0.470
PET-UNK-6314f867-2
0.470
MAT-POS-90fd5f68-22
0.470
EDJ-MED-239d8ca5-1
0.470
MAT-POS-c0609ef7-1
0.470
MAT-POS-90fd5f68-4
0.470
MAT-POS-c20a539d-5
0.470
RUB-POS-1325a9ea-1
0.469
MAT-POS-f7918075-7
0.469
RUB-POS-1325a9ea-12
0.468
PET-UNK-e274cad4-6
0.468
MIC-UNK-d935700b-1
0.468
SAM-UNK-2684b532-11
0.468
RUB-POS-1325a9ea-19
0.468
MAT-POS-bb423b95-5
0.468
SAM-UNK-2684b532-12
0.468
JIN-POS-6dc588a4-4
0.468
JIN-POS-6dc588a4-3
0.468
MAT-POS-90fd5f68-26
0.466
EDG-MED-0da5ad92-16
0.466
EDG-MED-0da5ad92-21
0.466
MAT-POS-90fd5f68-24
0.465
PET-UNK-b38839dc-2
0.464