Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnc2ccccc2c1 |
| MW: | 296.07 |
| Fraction sp3: | 0.06 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 4.07 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
ADA-UCB-6c2cb422-1
EDG-MED-0da5ad92-13
0.522
MIC-UNK-66895286-1
0.515
EDG-MED-0da5ad92-12
0.514
JAN-GHE-5a013bed-9
0.507
EDG-MED-0da5ad92-2
0.493
JIN-POS-6dc588a4-21
0.474
JOH-UNI-6fede743-4
0.462
ALP-POS-95b75b4d-8
0.458
SAM-UNK-2684b532-13
0.458
MAR-TRE-f6f5f473-67
0.458
RUB-POS-1325a9ea-18
0.456
ADA-UCB-6c2cb422-1
0.455
MAR-TRE-f6f5f473-83
0.453
JOH-UNI-abfda500-4
0.453
VLA-UNK-4cf5aa07-1
0.453
JAN-GHE-5a013bed-8
0.451
JOH-UNI-6fede743-2
0.450
JIN-POS-6dc588a4-7
0.449
VLA-UNK-4cf5aa07-2
0.447
JOH-UNI-ee5ed7c8-8
0.444
JAN-GHE-5a013bed-10
0.444
JOH-UNI-3fc3434e-8
0.444
MAT-POS-f7918075-6
0.443
MAT-POS-3cc264b0-1
0.443
EDJ-MED-50fe53e8-1
0.443
EDJ-MED-50fe53e8-2
0.443
JAN-GHE-5a013bed-6
0.443
ABI-SAT-4d06482b-2
0.440
PET-UNK-8df914d1-4
0.438
JIN-POS-6dc588a4-10
0.438
JOH-UNI-abfda500-5
0.434
ANN-UNI-98d2bf15-3
0.434
ALP-POS-95b75b4d-6
0.432
EDJ-MED-49816e9b-3
0.432
MAT-POS-f7918075-8
0.432
JAN-GHE-5a013bed-11
0.431
RUB-POS-1325a9ea-14
0.427
TRY-UNI-714a760b-6
0.427
PET-UNK-8df914d1-3
0.427
RUB-POS-1325a9ea-12
0.425
JOH-UNI-ee5ed7c8-11
0.424
JOH-UNI-3fc3434e-11
0.424
JIN-POS-6dc588a4-4
0.423
MAT-POS-bb423b95-5
0.423
SAM-UNK-2684b532-12
0.423
SAM-UNK-2684b532-11
0.423
RUB-POS-1325a9ea-11
0.420
JIN-POS-6dc588a4-14
0.420
RUB-POS-1325a9ea-5
0.420
MAT-POS-bb423b95-8
0.420
MAT-POS-bb423b95-2
0.420
EDJ-MED-49816e9b-2
0.419
EDG-MED-0da5ad92-16
0.419
EDG-MED-0da5ad92-21
0.419
NAU-LAT-e1818702-10
0.417
JAN-GHE-5a013bed-7
0.417
EDG-MED-0da5ad92-17
0.416
TRY-UNI-714a760b-3
0.416
JIN-POS-6dc588a4-11
0.415
JIN-POS-6dc588a4-23
0.415
MAT-POS-f7918075-3
0.415
MIC-UNK-08cd9c58-1
0.415
EDG-MED-0da5ad92-14
0.413
MIC-UNK-50cce87d-2
0.412
JIN-POS-6dc588a4-9
0.412
RUB-POS-1325a9ea-17
0.412
EDJ-MED-c8e7a002-12
0.412
PET-UNK-8df914d1-2
0.412
MAT-POS-bb423b95-1
0.412
PET-UNK-6314f867-2
0.412
MAK-UNK-6ca90168-23
0.410
MIC-UNK-50cce87d-4
0.410
RUB-POS-1325a9ea-9
0.410
EDG-MED-0da5ad92-15
0.408
BEN-DND-02317c5c-9
0.407
RUB-POS-1325a9ea-13
0.407
ALP-POS-0c2c77e1-1
0.407
MAT-POS-bb423b95-3
0.407
EDJ-MED-c8e7a002-14
0.407
EDJ-MED-50fe53e8-4
0.407
JOH-UNI-ee5ed7c8-1
0.407
JOH-UNI-3fc3434e-1
0.407
VLA-UNK-411a133b-2
0.405
JIN-POS-6dc588a4-5
0.405
RUB-POS-1325a9ea-19
0.405
JIN-POS-6dc588a4-3
0.405
JAN-GHE-5a013bed-2
0.405
PET-UNK-8df914d1-5
0.405
EDG-MED-0da5ad92-18
0.403
MIC-UNK-50cce87d-3
0.402
JIN-POS-6dc588a4-24
0.402
RUB-POS-1325a9ea-2
0.402
MIC-UNK-50cce87d-1
0.402
RUB-POS-1325a9ea-3
0.402
JOH-UNI-6fede743-1
0.402
MAT-POS-f7918075-5
0.402
EDJ-MED-c8e7a002-9
0.402
JAG-UCB-a3ef7265-15
0.400
NAU-LAT-e1818702-7
0.400
JAG-UCB-a3ef7265-17
0.400