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
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
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-6dc588a4-13
0.506
JIN-POS-6dc588a4-22
0.506
RUB-POS-1325a9ea-4
0.506
JOH-UNI-ee5ed7c8-4
0.506
JOH-UNI-3fc3434e-4
0.506
MAT-POS-f7918075-5
0.500
MAT-POS-bb423b95-8
0.500
ALP-POS-95b75b4d-6
0.500
RUB-POS-1325a9ea-5
0.500
MAT-POS-f7918075-3
0.494
MIC-UNK-08cd9c58-1
0.494
RUB-POS-1325a9ea-15
0.494
JIN-POS-6dc588a4-11
0.494
ALP-POS-95b75b4d-5
0.494
MIC-UNK-50cce87d-2
0.494
MAT-POS-bb423b95-4
0.494
TRY-UNI-714a760b-6
0.493
JIN-POS-6dc588a4-18
0.487
ABI-SAT-4d06482b-2
0.486
MAT-POS-199e2e7c-1
0.481
JIN-POS-6dc588a4-10
0.481
JIN-POS-6dc588a4-14
0.481
JOH-UNI-abfda500-5
0.480
ANN-UNI-98d2bf15-3
0.480
JOH-UNI-abfda500-4
0.480
EDJ-MED-00c1612e-1
0.476
PET-UNK-8df914d1-1
0.476
EDJ-MED-a364e151-1
0.475
MAK-UNK-6ca90168-23
0.474
JAN-GHE-5a013bed-9
0.471
PET-UNK-6314f867-2
0.470
RUB-POS-1325a9ea-1
0.469
MAT-POS-f7918075-7
0.469
RUB-POS-1325a9ea-12
0.468
SAM-UNK-2684b532-11
0.468
SAM-UNK-2684b532-12
0.468
MAT-POS-bb423b95-5
0.468
MIC-UNK-d935700b-1
0.468
JIN-POS-6dc588a4-3
0.468
RUB-POS-1325a9ea-19
0.468
JIN-POS-6dc588a4-4
0.468
EDG-MED-0da5ad92-21
0.466
EDG-MED-0da5ad92-16
0.466
PET-UNK-f4e47ebd-2
0.464
PET-UNK-f4e47ebd-1
0.464
MAT-POS-bb423b95-2
0.463
MIC-UNK-50cce87d-3
0.463
RUB-POS-1325a9ea-2
0.463
RUB-POS-1325a9ea-3
0.463
MIC-UNK-d935700b-2
0.463
MIC-UNK-50cce87d-1
0.463
ALP-POS-95b75b4d-7
0.462
EDG-MED-0da5ad92-14
0.459
MIC-UNK-8971c93c-1
0.457
MAT-POS-f7918075-4
0.457
MAT-POS-f7918075-8
0.457
MAK-UNK-ffc90da7-5
0.457
MAT-POS-14ad9fe9-1
0.452
JIN-POS-6dc588a4-20
0.452
RUB-POS-1325a9ea-9
0.451
MIC-UNK-50cce87d-4
0.451
RUB-POS-1325a9ea-14
0.451
MAT-POS-bb423b95-3
0.450
MAT-POS-f7918075-6
0.450
EDJ-MED-50fe53e8-2
0.450
ALP-POS-0c2c77e1-1
0.450
JIN-POS-6dc588a4-6
0.450
PET-UNK-8df914d1-5
0.449
JOH-UNI-3fc3434e-1
0.447
JOH-UNI-ee5ed7c8-1
0.447
PET-UNK-8df914d1-4
0.446
PET-UNK-6314f867-3
0.446
JOH-UNI-6fede743-1
0.444
JIN-POS-6dc588a4-24
0.444
VLA-UCB-00f2c2b3-7
0.443
EDG-MED-0da5ad92-17
0.442
JOH-UNI-ee5ed7c8-3
0.440
JOH-UNI-3fc3434e-3
0.440
EDG-MED-0da5ad92-12
0.440
RUB-POS-1325a9ea-8
0.439
EDG-MED-0da5ad92-2
0.438
JAN-GHE-5a013bed-8
0.438
EDJ-MED-c8e7a002-12
0.438
RUB-POS-1325a9ea-17
0.438
JIN-POS-6dc588a4-9
0.438
JAN-GHE-5a013bed-6
0.431