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
ALP-POS-95b75b4d-9
0.703
SAD-SAT-24589cd1-5
0.703
ALP-POS-95b75b4d-8
0.635
SAM-UNK-2684b532-13
0.635
ALP-POS-95b75b4d-6
0.625
TRY-UNI-714a760b-6
0.615
MAK-UNK-6ca90168-29
0.610
JOH-UNI-abfda500-4
0.597
ANN-UNI-98d2bf15-3
0.597
JOH-UNI-abfda500-5
0.597
ALP-POS-95b75b4d-7
0.594
SAM-UNK-2684b532-11
0.580
MAT-POS-bb423b95-5
0.580
SAM-UNK-2684b532-12
0.580
ALP-POS-95b75b4d-5
0.563
MAT-POS-bb423b95-4
0.563
ALP-POS-0c2c77e1-1
0.556
MAT-POS-bb423b95-3
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
JAN-GHE-5a013bed-8
0.507
EDG-MED-0da5ad92-2
0.507
TRY-UNI-714a760b-3
0.507
MAT-POS-14ad9fe9-1
0.494
EDG-MED-0da5ad92-21
0.493
EDG-MED-0da5ad92-16
0.493
MAT-POS-199e2e7c-1
0.487
MAT-POS-bb423b95-2
0.487
ADA-UCB-6c2cb422-1
0.486
AGN-NEW-c7b24fe3-5
0.486
EDG-MED-0da5ad92-14
0.486
SAD-SAT-24589cd1-1
0.481
MAT-POS-f7918075-3
0.481
EDJ-MED-a364e151-1
0.481
MIC-UNK-08cd9c58-1
0.481
MIC-UNK-50cce87d-2
0.480
AGN-NEW-c7b24fe3-1
0.479
JAN-GHE-5a013bed-9
0.478
EDJ-MED-976da9a6-2
0.475
MAT-POS-f7918075-7
0.474
EDJ-MED-a364e151-3
0.474
MAK-UNK-6ca90168-28
0.469
MIC-UNK-50cce87d-1
0.468
MAT-POS-bb423b95-8
0.468
MIC-UNK-50cce87d-3
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
EDJ-MED-a364e151-2
0.462
MAT-POS-f7918075-4
0.462
MAT-POS-f7918075-8
0.462
MIC-UNK-8971c93c-1
0.462
EDJ-MED-c8e7a002-12
0.461
EDG-MED-0da5ad92-6
0.458
JAN-GHE-5a013bed-6
0.456
MIC-UNK-50cce87d-4
0.456
JOH-UNI-3fc3434e-8
0.456
JOH-UNI-ee5ed7c8-8
0.456
SAD-SAT-24589cd1-8
0.455
MIC-UNK-d935700b-1
0.453
JOH-UNI-ee5ed7c8-1
0.451
JOH-UNI-3fc3434e-1
0.451
EDG-MED-0da5ad92-13
0.451
PET-UNK-8df914d1-4
0.451
JAN-GHE-5a013bed-7
0.449
NAU-LAT-e1818702-10
0.449
EDJ-MED-c8e7a002-16
0.449
JOH-UNI-3fc3434e-2
0.448
JOH-UNI-ee5ed7c8-2
0.448
MAT-POS-bb423b95-6
0.447
JOH-UNI-6fede743-3
0.447
VLA-UCB-00f2c2b3-7
0.447
EDG-MED-0da5ad92-12
0.444
PET-UNK-8df914d1-1
0.444
EDJ-MED-00c1612e-1
0.444
SAD-SAT-24589cd1-3
0.443
JAN-GHE-5a013bed-11
0.443
MIC-UNK-66895286-1
0.443
EDJ-MED-976da9a6-1
0.439
ALP-POS-95b75b4d-2
0.438
ANT-DIA-3c79be55-2
0.437
EDJ-MED-50fe53e8-2
0.436
MAT-POS-f7918075-6
0.436
ALP-POS-f13221e1-4
0.434
EDG-MED-0da5ad92-18
0.432
EDJ-MED-49816e9b-2
0.431
MIC-UNK-d935700b-2
0.430
JOH-UNI-6fede743-1
0.430
PET-UNK-bbe8d7ff-2
0.430
JAN-GHE-83b26c96-15
0.427
EDG-MED-0da5ad92-1
0.427
EDJ-MED-49816e9b-3
0.425
MAT-POS-4211dce8-1
0.423
EDG-MED-0da5ad92-15
0.419