Molecule Details
| Molecular Properties | |
| SMILES: | N#Cc1ccncc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 271.05 |
| Fraction sp3: | 0.07 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.78 |
| cLogP: | 2.79 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-24
SAD-SAT-24589cd1-5
0.703
ALP-POS-95b75b4d-9
0.703
SAM-UNK-2684b532-13
0.635
ALP-POS-95b75b4d-8
0.635
ALP-POS-95b75b4d-6
0.625
TRY-UNI-714a760b-6
0.615
MAK-UNK-6ca90168-29
0.610
JOH-UNI-abfda500-5
0.597
ANN-UNI-98d2bf15-3
0.597
JOH-UNI-abfda500-4
0.597
ALP-POS-95b75b4d-7
0.594
SAM-UNK-2684b532-12
0.580
JIN-POS-6dc588a4-4
0.580
RUB-POS-1325a9ea-19
0.580
SAM-UNK-2684b532-11
0.580
JIN-POS-6dc588a4-3
0.580
MAT-POS-bb423b95-5
0.580
PET-UNK-6314f867-3
0.568
ALP-POS-95b75b4d-5
0.563
MAT-POS-bb423b95-4
0.563
ALP-POS-0c2c77e1-1
0.556
MAT-POS-bb423b95-3
0.556
JIN-POS-6dc588a4-6
0.556
AGN-NEW-c7b24fe3-4
0.551
JAN-GHE-5a013bed-10
0.545
MAT-POS-bb423b95-1
0.542
ABI-SAT-4d06482b-2
0.536
MAT-POS-f7918075-5
0.527
PET-UNK-8df914d1-3
0.522
MAT-POS-bb423b95-9
0.521
JIN-POS-6dc588a4-22
0.514
PET-UNK-6314f867-2
0.513
EDG-MED-0da5ad92-2
0.507
JAN-GHE-5a013bed-8
0.507
TRY-UNI-714a760b-3
0.507
JIN-POS-6dc588a4-24
0.507
MAT-POS-14ad9fe9-1
0.494
JIN-POS-6dc588a4-13
0.493
EDG-MED-0da5ad92-16
0.493
EDG-MED-0da5ad92-21
0.493
MAT-POS-199e2e7c-1
0.487
MAT-POS-bb423b95-2
0.487
PET-UNK-b1ef24dc-4
0.487
RUB-POS-1325a9ea-5
0.487
JIN-POS-6dc588a4-10
0.487
ADA-UCB-6c2cb422-1
0.486
AGN-NEW-c7b24fe3-5
0.486
EDG-MED-0da5ad92-14
0.486
EDJ-MED-a364e151-1
0.481
MIC-UNK-08cd9c58-1
0.481
SAD-SAT-24589cd1-1
0.481
RUB-POS-1325a9ea-15
0.481
RUB-POS-1325a9ea-8
0.481
MAT-POS-f7918075-3
0.481
MIC-UNK-50cce87d-2
0.480
AGN-NEW-c7b24fe3-1
0.479
JAN-GHE-5a013bed-9
0.478
JIN-POS-6dc588a4-20
0.475
EDJ-MED-976da9a6-2
0.475
RUB-POS-1325a9ea-1
0.474
MAT-POS-f7918075-7
0.474
JIN-POS-6dc588a4-18
0.474
PET-UNK-b1ef24dc-2
0.474
RUB-POS-1325a9ea-13
0.474
PET-UNK-b1ef24dc-1
0.474
PET-UNK-7f7e354d-7
0.474
EDJ-MED-a364e151-3
0.474
RUB-POS-1325a9ea-12
0.474
PET-UNK-e274cad4-6
0.474
MAK-UNK-6ca90168-28
0.469
MAT-POS-29385cc1-4
0.468
RUB-POS-1325a9ea-3
0.468
MIC-UNK-50cce87d-3
0.468
RUB-POS-1325a9ea-2
0.468
JIN-POS-6dc588a4-12
0.468
JIN-POS-6dc588a4-14
0.468
MAT-POS-bb423b95-8
0.468
RUB-POS-1325a9ea-11
0.468
MIC-UNK-50cce87d-1
0.468
PET-UNK-b1ef24dc-3
0.468
EDJ-MED-076d6e64-1
0.468
TRY-UNI-714a760b-20
0.467
EDG-MED-0da5ad92-17
0.466
JOH-UNI-ee5ed7c8-3
0.463
JOH-UNI-3fc3434e-3
0.463
MAT-POS-f7918075-8
0.462
JIN-POS-6dc588a4-11
0.462
EDJ-MED-a364e151-2
0.462
MIC-UNK-7574fcc6-1
0.462
MIC-UNK-8971c93c-1
0.462
MAT-POS-f7918075-4
0.462
EDJ-MED-c8e7a002-12
0.461
JIN-POS-6dc588a4-9
0.461
RUB-POS-1325a9ea-17
0.461
EDG-MED-0da5ad92-6
0.458
PET-UNK-158bee2a-2
0.456
JAN-GHE-5a013bed-6
0.456
RUB-POS-1325a9ea-9
0.456
MAT-POS-29385cc1-3
0.456
MIC-UNK-50cce87d-4
0.456