Molecular Properties | |
SMILES: | CN(C(=O)C(CC#N)c1cccc(Cl)c1)c1cncc2ccccc12 |
MW: | 349.1 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 56.99 |
cLogP: | 4.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-UNI-ee5ed7c8-7
1.000
MAT-POS-bb423b95-7
0.536
JOH-UNI-3fc3434e-6
0.528
JOH-UNI-ee5ed7c8-6
0.528
PET-UNK-5ecb6237-1
0.462
PET-UNK-a692de38-1
0.452
ALF-EVA-a24cc7ce-7
0.448
PET-UNK-6c2be958-1
0.440
PET-UNK-12d8d43f-1
0.440
VLA-UCB-05e51b3f-15
0.440
VLA-UCB-05e51b3f-17
0.440
WIL-UCB-7ba4ac3a-2
0.439
MAK-UNK-3875bbc8-2
0.439
DAR-DIA-076fb6ea-5
0.433
JOH-UNI-50ce7ec3-2
0.426
DAR-DIA-56cf811e-3
0.424
ALF-EVA-a24cc7ce-2
0.423
PET-UNK-12d8d43f-2
0.421
DAR-DIA-56cf811e-1
0.421
DAR-DIA-076fb6ea-15
0.417
DAR-DIA-076fb6ea-8
0.408
JOH-UNI-a38a7bdd-2
0.406
JOH-UNI-a38a7bdd-1
0.406
VLA-UCB-05e51b3f-16
0.406
DAR-DIA-076fb6ea-1
0.406
MAK-UNK-ffc90da7-7
0.406
DAR-DIA-076fb6ea-11
0.398
NAU-LAT-4ce8bf23-2
0.398
JOH-UNI-50ce7ec3-1
0.398
MIC-UNK-c66144cb-2
0.388
MAK-UNK-3875bbc8-1
0.386
JOH-UNI-a38a7bdd-5
0.386
DAR-DIA-076fb6ea-3
0.385
DAR-DIA-6a49afbe-1
0.385
MIC-UNK-c66144cb-1
0.385
ALP-POS-76eab5ce-2
0.385
DAR-DIA-56cf811e-5
0.382
MIC-UNK-d36ab305-4
0.382
ALP-UNI-44c99a80-1
0.382
EDJ-MED-cf4b0d25-4
0.381
PET-UNK-064639eb-6
0.381
PET-UNK-064639eb-3
0.381
VLA-UNK-9a7dc93f-7
0.379
ALP-UNI-44c99a80-4
0.379
MIC-UNK-c66144cb-3
0.377
ALP-POS-3b848b35-4
0.377
JOH-UNI-a38a7bdd-6
0.375
MIC-UNK-5a93dd5f-8
0.375
DAR-DIA-076fb6ea-9
0.373
MAK-UNK-ffc90da7-1
0.371
MAK-UNK-c749d764-6
0.371
DAR-DIA-076fb6ea-12
0.369
MIC-UNK-5a93dd5f-10
0.366
NAU-LAT-a5c7d7cb-2
0.366
MIC-UNK-6ab519a7-1
0.366
NIR-THE-590dedc7-1
0.366
MIC-UNK-5a93dd5f-6
0.364
DAR-DIA-5ff57136-16
0.364
VLA-UCB-05e51b3f-4
0.362
VLA-UCB-50c39ae8-1
0.362
JOH-UNI-21fd6073-3
0.361
EDJ-MED-ee07cf00-4
0.361
DAR-DIA-5ff57136-10
0.360
EDJ-MED-cf4b0d25-5
0.360
VLA-UCB-34f3ed0c-1
0.360
MAK-UNK-3875bbc8-3
0.360
MIC-UNK-d36ab305-1
0.359
DAR-DIA-5ff57136-14
0.358
DAR-DIA-5ff57136-17
0.357
DAR-DIA-5ff57136-19
0.357
DAR-DIA-5ff57136-13
0.355
PET-UNK-064639eb-5
0.355
PET-UNK-064639eb-2
0.355
MAT-POS-e69ad64a-3
0.354
DAR-DIA-2964957d-9
0.354
ALP-POS-75715966-2
0.352
MIC-UNK-5a93dd5f-9
0.352
VLA-UCB-05e51b3f-9
0.352
VLA-UCB-50c39ae8-6
0.352
DAR-DIA-5ff57136-11
0.351
DAR-DIA-5ff57136-15
0.351
PET-UNK-8922bd3c-1
0.351
PET-UNK-f860268d-4
0.351
PET-UNK-f860268d-1
0.351
PET-UNK-e8c7a26f-1
0.351
NAU-LAT-4ce8bf23-1
0.350
MAT-POS-090737b9-1
0.349
VLA-UCB-50c39ae8-7
0.349
VLA-UCB-05e51b3f-10
0.349
PET-UNK-1320d94d-21
0.348
PET-UNK-1320d94d-22
0.348
MIC-UNK-c5a20098-1
0.347
JOH-UNI-3fc3434e-9
0.347
JOH-UNI-ee5ed7c8-9
0.347
ALP-POS-b3306dea-1
0.346
DAR-DIA-5ff57136-18
0.345
MIC-UNK-5a93dd5f-11
0.345
ADA-UCB-6c2cb422-1
0.344
PET-UNK-064639eb-1
0.343
PET-UNK-064639eb-4
0.343