Molecular Properties | |
SMILES: | N#Cc1nccc(CCc2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1 |
MW: | 383.15 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 73.12 |
cLogP: | 2.02 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-849bee6c-9
0.658
MAK-UNK-849bee6c-6
0.593
MAK-UNK-849bee6c-3
0.549
MAK-UNK-849bee6c-13
0.549
MAK-UNK-849bee6c-17
0.549
MAK-UNK-849bee6c-15
0.543
MAT-POS-ee51dedd-1
0.519
MAK-UNK-849bee6c-7
0.512
MAK-UNK-849bee6c-16
0.495
MAK-UNK-849bee6c-14
0.489
MAK-UNK-849bee6c-12
0.478
MAK-UNK-849bee6c-4
0.478
AAR-POS-d2a4d1df-24
0.474
MAK-UNK-849bee6c-5
0.473
JOK-SYG-18591e8f-1
0.469
MED-COV-4280ac29-15
0.462
AAR-POS-d2a4d1df-35
0.462
HYO-UNK-49a60884-1
0.462
JOH-UNI-0e1753c1-3
0.462
MAK-UNK-849bee6c-2
0.454
DRR-IMP-38dce17f-2
0.450
DRR-IMP-38dce17f-5
0.430
DRR-IMP-38dce17f-3
0.421
MAK-UNK-7c9d1431-24
0.421
TAM-UNI-d1c3dd9f-12
0.419
DRR-IMP-38dce17f-7
0.412
MAK-UNK-6ca90168-14
0.412
PAU-UNI-8cdd41c7-1
0.410
DRR-IMP-38dce17f-4
0.407
WIL-LEE-23e8b574-3
0.407
JAN-GHE-1d98ec1c-2
0.407
STE-KUL-2e0d2e88-7
0.404
MAK-UNK-cd94b63c-1
0.394
MAK-UNK-176ca439-3
0.394
DRR-IMP-38dce17f-6
0.392
MAK-UNK-176ca439-7
0.385
TAM-UNI-d1c3dd9f-16
0.385
MAK-UNK-af83ef51-20
0.385
PAT-UNK-b2d83456-1
0.381
SEL-UNI-cd366922-7
0.380
MAK-UNK-e4a48a85-7
0.380
MAK-UNK-849bee6c-26
0.380
MAK-UNK-10dfa458-45
0.379
MAK-UNK-72659d64-4
0.378
MED-COV-4280ac29-35
0.376
TAM-UNI-d1c3dd9f-18
0.376
MAK-UNK-af83ef51-1
0.371
MAK-UNK-849bee6c-23
0.370
MAK-UNK-af83ef51-21
0.370
MAK-UNK-176ca439-2
0.370
MAT-POS-2db6411e-2
0.369
SAD-SAT-581007d4-7
0.369
SAD-SAT-581007d4-1
0.369
SAD-SAT-581007d4-2
0.369
MAK-UNK-3c359d2a-1
0.366
MAK-UNK-176ca439-4
0.366
MAK-UNK-849bee6c-1
0.365
TAM-UNI-d1c3dd9f-6
0.365
MAK-UNK-7c9d1431-14
0.364
MAK-UNK-7c9d1431-16
0.364
SAD-SAT-5b1897b2-5
0.364
MAR-TRE-6a44bbf2-54
0.364
DAV-CRI-d1e0885a-1
0.364
MAK-UNK-7c9d1431-29
0.362
MAK-UNK-7c9d1431-28
0.361
MED-COV-4280ac29-33
0.360
DAR-DIA-fb20be43-3
0.358
MAK-UNK-849bee6c-20
0.358
MAK-UNK-849bee6c-22
0.355
MAK-UNK-849bee6c-25
0.355
DAR-DIA-fb20be43-6
0.354
MAK-UNK-72659d64-8
0.353
FAB-UNK-7ad5ab26-2
0.352
MAK-UNK-af83ef51-19
0.351
PAU-UNI-52c0427f-1
0.351
DAR-DIA-fb20be43-4
0.351
BRU-LEF-ae0885ba-1
0.351
MAK-UNK-10dfa458-38
0.350
LON-WEI-8f408cad-7
0.349
DRR-IMP-38dce17f-1
0.349
MAK-UNK-212f693e-8
0.349
AAR-POS-0daf6b7e-13
0.349
JOH-UNI-23d9e1b1-1
0.349
NEH-REV-107bcf72-5
0.349
MED-COV-4280ac29-1
0.349
MAK-UNK-7c9d1431-18
0.348
TAM-UNI-d1c3dd9f-17
0.347
MED-COV-4280ac29-19
0.347
SAD-SAT-581007d4-3
0.344
DAV-CRI-d1e0885a-3
0.344
MED-COV-4280ac29-24
0.344
MAK-UNK-e4a48a85-18
0.343
DAV-CRI-d1e0885a-6
0.340
SEA-TRI-146a67b6-1
0.340
MAK-UNK-69e28b36-1
0.339
MAK-UNK-176ca439-6
0.339
MAK-UNK-7c9d1431-20
0.337
JIA-UNI-93b03cae-1
0.337
JAN-GHE-1d98ec1c-8
0.337
DAV-CRI-d1e0885a-2
0.337