Molecular Properties | |
SMILES: | N#Cc1nccc(-c2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1 |
MW: | 355.12 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 73.12 |
cLogP: | 1.9 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-849bee6c-7
0.628
MAK-UNK-849bee6c-8
0.593
MAK-UNK-849bee6c-13
0.586
MAK-UNK-849bee6c-3
0.586
MAK-UNK-849bee6c-5
0.576
MAK-UNK-849bee6c-17
0.568
MAK-UNK-849bee6c-15
0.562
MAT-POS-ee51dedd-1
0.539
MAK-UNK-849bee6c-4
0.529
MAK-UNK-849bee6c-9
0.524
MAK-UNK-849bee6c-14
0.523
MAK-UNK-849bee6c-16
0.511
MAK-UNK-849bee6c-12
0.511
AAR-POS-d2a4d1df-24
0.493
MAK-UNK-849bee6c-2
0.484
JOH-UNI-0e1753c1-3
0.480
MED-COV-4280ac29-15
0.480
AAR-POS-d2a4d1df-35
0.480
HYO-UNK-49a60884-1
0.480
DRR-IMP-38dce17f-2
0.468
JOK-SYG-18591e8f-1
0.450
DRR-IMP-38dce17f-3
0.438
MAK-UNK-7c9d1431-24
0.438
DRR-IMP-38dce17f-7
0.429
MAK-UNK-6ca90168-14
0.429
DRR-IMP-38dce17f-4
0.423
MAK-UNK-10dfa458-45
0.418
MAK-UNK-af83ef51-1
0.417
MAK-UNK-af83ef51-20
0.410
PAU-UNI-8cdd41c7-1
0.408
DRR-IMP-38dce17f-6
0.408
MAK-UNK-176ca439-3
0.407
MAK-UNK-cd94b63c-1
0.407
MAK-UNK-3c359d2a-1
0.406
MAK-UNK-176ca439-4
0.406
TAM-UNI-d1c3dd9f-12
0.402
DAR-DIA-fb20be43-3
0.400
TAM-UNI-d1c3dd9f-16
0.398
DAR-DIA-fb20be43-6
0.396
MAK-UNK-849bee6c-23
0.394
DRR-IMP-38dce17f-5
0.392
MAK-UNK-849bee6c-26
0.390
MAK-UNK-849bee6c-1
0.390
MAK-UNK-10dfa458-38
0.389
TAM-UNI-d1c3dd9f-18
0.389
MAK-UNK-af83ef51-19
0.387
STE-KUL-2e0d2e88-7
0.386
SAD-SAT-581007d4-7
0.383
MAT-POS-2db6411e-2
0.383
SAD-SAT-581007d4-1
0.383
SAD-SAT-581007d4-2
0.383
MAK-UNK-af83ef51-21
0.381
MAK-UNK-212f693e-8
0.380
LON-WEI-8f408cad-7
0.380
AAR-POS-0daf6b7e-13
0.380
MAK-UNK-849bee6c-22
0.379
MAK-UNK-849bee6c-25
0.379
PAT-UNK-b2d83456-1
0.378
SEL-UNI-cd366922-7
0.378
MAK-UNK-e4a48a85-7
0.378
MAK-UNK-7c9d1431-29
0.377
SAD-SAT-5b1897b2-5
0.376
DAV-CRI-d1e0885a-1
0.376
MAK-UNK-7c9d1431-14
0.376
MAK-UNK-7c9d1431-16
0.376
MAR-TRE-6a44bbf2-54
0.376
FAB-UNK-7ad5ab26-2
0.376
MAK-UNK-c74072e5-7
0.375
MED-COV-4280ac29-1
0.371
JOO-PER-58e158bd-1
0.370
DAR-DIA-fb20be43-7
0.370
MAK-UNK-849bee6c-21
0.369
MAK-UNK-849bee6c-20
0.368
MAK-UNK-176ca439-2
0.367
MAK-UNK-e4a48a85-8
0.367
PAU-UNI-19862c28-1
0.367
DAR-DIA-fb20be43-8
0.367
MAK-UNK-e4a48a85-18
0.366
JIA-UNI-93b03cae-1
0.366
PAU-UNI-52c0427f-1
0.363
BRU-LEF-ae0885ba-1
0.363
DAR-DIA-fb20be43-4
0.363
DRR-IMP-38dce17f-1
0.362
MAK-UNK-7c9d1431-18
0.360
TAM-UNI-d1c3dd9f-17
0.359
MED-COV-4280ac29-35
0.359
MED-COV-4280ac29-25
0.359
MAK-UNK-7c9d1431-28
0.358
MED-COV-4280ac29-19
0.358
MAK-UNK-849bee6c-18
0.356
MED-COV-4280ac29-31
0.356
MED-COV-4280ac29-33
0.356
SAD-SAT-581007d4-3
0.356
AAR-POS-d2a4d1df-40
0.356
DAR-DIA-fb20be43-2
0.356
DAV-CRI-d1e0885a-3
0.355
DAR-DIA-fb20be43-5
0.355
MED-COV-4280ac29-24
0.355
MAK-UNK-849bee6c-19
0.353
SEA-TRI-146a67b6-1
0.351