Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2c1OCCO2 |
| MW: | 304.06 |
| Fraction sp3: | 0.2 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 60.45 |
| cLogP: | 2.69 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
EDJ-MED-a364e151-3
0.735
EDJ-MED-976da9a6-1
0.590
EDJ-MED-976da9a6-2
0.570
JOH-UNI-3fc3434e-4
0.529
JOH-UNI-ee5ed7c8-4
0.529
TRY-UNI-714a760b-3
0.527
JAN-GHE-5a013bed-10
0.521
PET-UNK-8df914d1-3
0.521
ALP-POS-95b75b4d-8
0.514
SAM-UNK-2684b532-13
0.514
RUB-POS-1325a9ea-4
0.494
JIN-POS-6dc588a4-22
0.494
PET-UNK-7f7e354d-7
0.494
RUB-POS-1325a9ea-11
0.487
JIN-POS-6dc588a4-12
0.487
MAT-POS-f7918075-5
0.487
PET-UNK-b1ef24dc-3
0.487
ADA-UCB-6c2cb422-1
0.487
ALP-POS-95b75b4d-6
0.486
MAT-POS-bb423b95-9
0.481
MAT-POS-bb423b95-1
0.481
TRY-UNI-714a760b-6
0.480
MAT-POS-90fd5f68-40
0.476
RUB-POS-1325a9ea-13
0.475
PET-UNK-b1ef24dc-1
0.475
JIN-POS-6dc588a4-13
0.475
RUB-POS-1325a9ea-19
0.474
JIN-POS-6dc588a4-4
0.474
SAM-UNK-2684b532-12
0.474
ABI-SAT-4d06482b-2
0.474
MAT-POS-90fd5f68-38
0.470
RUB-POS-1325a9ea-5
0.469
PET-UNK-b1ef24dc-4
0.469
MAT-POS-199e2e7c-1
0.469
MAT-POS-bb423b95-8
0.469
JOH-UNI-abfda500-4
0.468
JOH-UNI-abfda500-5
0.468
ANN-UNI-98d2bf15-3
0.468
MAT-POS-90fd5f68-1
0.464
MAT-POS-f7918075-3
0.463
RUB-POS-1325a9ea-15
0.463
EDJ-MED-a364e151-1
0.463
MIC-UNK-08cd9c58-1
0.463
MAT-POS-f7918075-4
0.463
JIN-POS-6dc588a4-11
0.463
MIC-UNK-8971c93c-1
0.463
EDJ-MED-6ab52e52-1
0.463
ALP-POS-95b75b4d-5
0.463
MIC-UNK-50cce87d-2
0.463
MIC-UNK-51049f1a-6
0.463
MAT-POS-bb423b95-4
0.463
MAK-UNK-6ca90168-23
0.462
PET-UNK-b38839dc-1
0.460
MAT-POS-90fd5f68-3
0.460
MAT-POS-c20a539d-3
0.460
EDJ-MED-239d8ca5-2
0.460
MAT-POS-29385cc1-1
0.460
MAT-POS-90fd5f68-25
0.459
JIN-POS-6dc588a4-20
0.459
PET-UNK-d899bab6-1
0.459
MAT-POS-c20a539d-4
0.459
EDJ-MED-239d8ca5-1
0.459
MAT-POS-90fd5f68-7
0.459
MAT-POS-c20a539d-6
0.458
JIN-POS-6dc588a4-18
0.458
MAT-POS-29385cc1-3
0.458
MAT-POS-f7918075-7
0.458
RUB-POS-1325a9ea-1
0.458
PET-UNK-e274cad4-6
0.457
PET-UNK-b1ef24dc-2
0.457
RUB-POS-1325a9ea-12
0.457
MAT-POS-bb423b95-5
0.456
JIN-POS-6dc588a4-3
0.456
SAM-UNK-2684b532-11
0.456
PET-UNK-f4e47ebd-2
0.453
PET-UNK-d899bab6-3
0.453
EDG-MED-0da5ad92-21
0.453
EDG-MED-0da5ad92-16
0.453
MAT-POS-c20a539d-2
0.452
MAT-POS-90fd5f68-37
0.452
MAT-POS-bb423b95-2
0.451
RUB-POS-1325a9ea-3
0.451
MIC-UNK-50cce87d-3
0.451
JIN-POS-6dc588a4-14
0.451
RUB-POS-1325a9ea-2
0.451
MIC-UNK-50cce87d-1
0.451
JIN-POS-6dc588a4-10
0.451
EDJ-MED-c5ca5386-1
0.451
ALP-POS-95b75b4d-7
0.450
PET-UNK-d899bab6-2
0.448
MAT-POS-90fd5f68-39
0.448
MAT-POS-29385cc1-2
0.448
MAT-POS-90fd5f68-6
0.448
MAT-POS-90fd5f68-2
0.448
EDG-MED-0da5ad92-14
0.447
PET-UNK-8df914d1-1
0.447
EDJ-MED-00c1612e-1
0.447
MAT-POS-90fd5f68-19
0.447
JAN-GHE-5a013bed-8
0.446
MIC-UNK-7574fcc6-1
0.446