Molecular Properties | |
SMILES: | N#Cc1ncc(Nc2cccc(CN3CCN(C(=O)CCl)CC3)c2)cn1 |
MW: | 370.13 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.15 |
cLogP: | 1.97 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-849bee6c-3
0.651
MAK-UNK-849bee6c-7
0.636
MAK-UNK-849bee6c-9
0.608
MAK-UNK-849bee6c-14
0.605
MAK-UNK-849bee6c-16
0.590
MAK-UNK-849bee6c-12
0.571
MAK-UNK-849bee6c-6
0.529
MAT-POS-ee51dedd-1
0.526
MAK-UNK-849bee6c-13
0.489
MAK-UNK-849bee6c-17
0.489
JOH-UNI-0e1753c1-3
0.486
AAR-POS-d2a4d1df-35
0.486
MED-COV-4280ac29-15
0.486
HYO-UNK-49a60884-1
0.486
AAR-POS-d2a4d1df-24
0.480
MAK-UNK-849bee6c-8
0.478
MAK-UNK-849bee6c-5
0.478
MED-COV-4280ac29-1
0.474
DRR-IMP-38dce17f-2
0.474
MAK-UNK-849bee6c-15
0.468
JOK-SYG-18591e8f-1
0.456
MAK-UNK-e4a48a85-8
0.451
MAK-UNK-af83ef51-20
0.443
MAK-UNK-849bee6c-2
0.442
MAK-UNK-849bee6c-23
0.440
MAK-UNK-849bee6c-26
0.436
DRR-IMP-38dce17f-7
0.434
MAK-UNK-6ca90168-14
0.434
DRR-IMP-38dce17f-4
0.429
MAK-UNK-176ca439-3
0.427
MAK-UNK-cd94b63c-1
0.427
MAK-UNK-af83ef51-21
0.426
MAK-UNK-7c9d1431-24
0.425
DRR-IMP-38dce17f-3
0.425
MAK-UNK-849bee6c-1
0.423
TAM-UNI-d1c3dd9f-12
0.422
TAM-UNI-d1c3dd9f-16
0.419
MAK-UNK-af83ef51-19
0.417
PAU-UNI-52c0427f-1
0.414
DAR-DIA-fb20be43-4
0.414
BRU-LEF-ae0885ba-1
0.414
MAK-UNK-849bee6c-22
0.410
MAK-UNK-10dfa458-45
0.408
MED-COV-4280ac29-24
0.404
DAR-DIA-fb20be43-3
0.404
MAK-UNK-af83ef51-22
0.404
MAK-UNK-849bee6c-18
0.402
MAK-UNK-7c9d1431-29
0.400
MAK-UNK-176ca439-2
0.400
MAK-UNK-849bee6c-21
0.400
MAK-UNK-849bee6c-20
0.398
MAK-UNK-849bee6c-19
0.398
DRR-IMP-38dce17f-5
0.397
MAK-UNK-10dfa458-44
0.396
MAK-UNK-849bee6c-25
0.396
DAV-CRI-d1e0885a-2
0.396
DRR-IMP-38dce17f-6
0.395
MAK-UNK-10dfa458-43
0.394
TAM-UNI-d1c3dd9f-17
0.393
TAM-UNI-d1c3dd9f-18
0.393
MED-COV-4280ac29-19
0.391
MAK-UNK-849bee6c-24
0.390
DAV-CRI-d1e0885a-3
0.389
MAK-UNK-af83ef51-1
0.388
MAK-UNK-176ca439-4
0.381
MAK-UNK-3c359d2a-1
0.381
SAD-SAT-5b1897b2-5
0.381
MAR-TRE-6a44bbf2-54
0.381
MAK-UNK-7c9d1431-14
0.381
MAK-UNK-7c9d1431-16
0.381
DAV-CRI-d1e0885a-1
0.381
DAR-DIA-fb20be43-1
0.378
MED-COV-4280ac29-35
0.378
PAU-UNI-8cdd41c7-1
0.377
DAR-DIA-fb20be43-5
0.374
JIA-UNI-93b03cae-1
0.370
DAR-DIA-fb20be43-17
0.370
MAK-UNK-e4a48a85-7
0.367
DRR-IMP-38dce17f-1
0.367
AAR-POS-0daf6b7e-13
0.367
MAK-UNK-212f693e-8
0.367
LON-WEI-8f408cad-7
0.367
FAB-UNK-7ad5ab26-2
0.366
PAT-UNK-b2d83456-1
0.366
TAM-UNI-d1c3dd9f-6
0.366
MAK-UNK-7c9d1431-18
0.364
MED-COV-4280ac29-25
0.363
MED-COV-4280ac29-8
0.363
MAK-UNK-176ca439-7
0.361
STE-KUL-2e0d2e88-7
0.360
MAK-UNK-e4a48a85-27
0.359
MAK-UNK-e4a48a85-23
0.357
DAR-DIA-fb20be43-6
0.355
SAD-SAT-581007d4-2
0.354
SAD-SAT-581007d4-7
0.354
MAK-UNK-7c9d1431-20
0.354
MAT-POS-2db6411e-2
0.354
SAD-SAT-581007d4-1
0.354
TAM-UNI-d1c3dd9f-19
0.354
MAK-UNK-af83ef51-27
0.353