Molecular Properties | |
SMILES: | CN(c1cnc(C#N)nc1)c1cccc(CN2CCN(C(=O)CCl)CC2)c1 |
MW: | 384.15 |
Fraction sp3: | 0.37 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 76.36 |
cLogP: | 2.0 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-849bee6c-15
0.679
MAK-UNK-849bee6c-7
0.632
MAK-UNK-849bee6c-9
0.623
MAK-UNK-849bee6c-12
0.605
MAK-UNK-849bee6c-4
0.605
MAK-UNK-849bee6c-16
0.585
MAT-POS-ee51dedd-1
0.541
MAK-UNK-849bee6c-6
0.523
AAR-POS-d2a4d1df-24
0.514
JOK-SYG-18591e8f-1
0.507
JOH-UNI-0e1753c1-3
0.500
AAR-POS-d2a4d1df-35
0.500
MED-COV-4280ac29-15
0.500
HYO-UNK-49a60884-1
0.500
MAK-UNK-849bee6c-13
0.500
MAK-UNK-849bee6c-8
0.489
DRR-IMP-38dce17f-2
0.486
MAK-UNK-849bee6c-3
0.484
MAK-UNK-849bee6c-17
0.484
MAK-UNK-849bee6c-5
0.472
MAK-UNK-af83ef51-20
0.453
DRR-IMP-38dce17f-7
0.446
MAK-UNK-6ca90168-14
0.446
DRR-IMP-38dce17f-4
0.440
MAK-UNK-176ca439-3
0.437
MAK-UNK-cd94b63c-1
0.437
MAK-UNK-7c9d1431-24
0.437
DRR-IMP-38dce17f-3
0.437
MAK-UNK-10dfa458-45
0.432
SAD-SAT-5b1897b2-5
0.425
MAK-UNK-af83ef51-21
0.420
TAM-UNI-d1c3dd9f-12
0.416
MAK-UNK-af83ef51-1
0.415
MAK-UNK-af83ef51-19
0.412
MAK-UNK-176ca439-2
0.409
DAR-DIA-fb20be43-4
0.407
PAU-UNI-52c0427f-1
0.407
BRU-LEF-ae0885ba-1
0.407
MAK-UNK-849bee6c-2
0.406
DRR-IMP-38dce17f-6
0.405
MAK-UNK-176ca439-4
0.404
MAK-UNK-3c359d2a-1
0.404
TAM-UNI-d1c3dd9f-18
0.402
DAR-DIA-fb20be43-3
0.398
MED-COV-4280ac29-24
0.398
MED-COV-4280ac29-1
0.396
TAM-UNI-d1c3dd9f-16
0.395
DRR-IMP-38dce17f-1
0.395
PAT-UNK-b2d83456-1
0.392
MAK-UNK-849bee6c-23
0.392
MAK-UNK-7c9d1431-29
0.392
DAV-CRI-d1e0885a-1
0.390
MAK-UNK-7c9d1431-16
0.390
MAK-UNK-7c9d1431-14
0.390
MAR-TRE-6a44bbf2-54
0.390
DRR-IMP-38dce17f-5
0.390
MAK-UNK-e4a48a85-7
0.389
MAK-UNK-72659d64-7
0.389
DAV-CRI-d1e0885a-2
0.389
MAK-UNK-849bee6c-26
0.388
MAK-UNK-849bee6c-1
0.388
PAU-UNI-8cdd41c7-1
0.387
MED-COV-4280ac29-35
0.386
MED-COV-4280ac29-19
0.385
AHN-SAT-de2502ba-15
0.383
DAV-CRI-d1e0885a-3
0.382
DAR-DIA-fb20be43-5
0.382
SAD-SAT-581007d4-2
0.380
MAK-UNK-7c9d1431-20
0.380
DAR-DIA-fb20be43-6
0.378
MAK-UNK-e4a48a85-18
0.378
DAR-DIA-fb20be43-17
0.378
MAK-UNK-e4a48a85-8
0.377
AAR-POS-0daf6b7e-13
0.377
LON-WEI-8f408cad-7
0.377
MAK-UNK-212f693e-8
0.377
JOH-UNI-23d9e1b1-1
0.375
VIT-UNK-2a0afa28-3
0.372
MAK-UNK-7c9d1431-18
0.372
DAR-DIA-fb20be43-1
0.371
MED-COV-4280ac29-8
0.371
MED-COV-4280ac29-25
0.371
TAM-UNI-d1c3dd9f-17
0.371
MED-COV-4280ac29-33
0.369
STE-KUL-2e0d2e88-7
0.368
DAR-DIA-fb20be43-16
0.367
TAM-UNI-d1c3dd9f-1
0.367
MAK-UNK-849bee6c-18
0.367
MAK-UNK-e4a48a85-27
0.366
MAK-UNK-e4a48a85-19
0.364
DAV-CRI-d1e0885a-6
0.364
MAK-UNK-849bee6c-22
0.363
MAK-UNK-849bee6c-25
0.363
JIA-UNI-93b03cae-1
0.362
SAD-SAT-581007d4-1
0.362
SAD-SAT-581007d4-7
0.362
MAT-POS-2db6411e-2
0.362
TAM-UNI-d1c3dd9f-19
0.361
JAN-GHE-1d98ec1c-8
0.360
FAB-UNK-7ad5ab26-2
0.360