Molecular Properties | |
SMILES: | N#Cc1ncc(Sc2cccc(CN3CCN(C(=O)CCl)CC3)c2)cn1 |
MW: | 387.09 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 73.12 |
cLogP: | 2.38 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-849bee6c-17
0.651
MAK-UNK-849bee6c-9
0.628
MAK-UNK-849bee6c-7
0.615
MAK-UNK-849bee6c-4
0.590
MAK-UNK-849bee6c-14
0.585
MAK-UNK-849bee6c-12
0.571
MAT-POS-ee51dedd-1
0.526
MAK-UNK-849bee6c-6
0.511
HYO-UNK-49a60884-1
0.507
AAR-POS-d2a4d1df-35
0.507
MED-COV-4280ac29-15
0.507
JOH-UNI-0e1753c1-3
0.507
MAK-UNK-849bee6c-8
0.495
MAK-UNK-849bee6c-3
0.489
MAK-UNK-849bee6c-13
0.489
MAK-UNK-849bee6c-15
0.484
AAR-POS-d2a4d1df-24
0.480
DRR-IMP-38dce17f-2
0.474
MAK-UNK-849bee6c-5
0.462
JOK-SYG-18591e8f-1
0.456
MAK-UNK-6ca90168-14
0.434
DRR-IMP-38dce17f-7
0.434
DRR-IMP-38dce17f-4
0.429
DRR-IMP-38dce17f-3
0.425
MAK-UNK-7c9d1431-24
0.425
MAK-UNK-af83ef51-20
0.414
MAK-UNK-176ca439-3
0.411
MAK-UNK-cd94b63c-1
0.411
MAK-UNK-af83ef51-1
0.405
MAK-UNK-7c9d1431-29
0.400
MAK-UNK-176ca439-2
0.400
MAK-UNK-849bee6c-2
0.398
DAR-DIA-fb20be43-4
0.398
PAU-UNI-52c0427f-1
0.398
BRU-LEF-ae0885ba-1
0.398
DRR-IMP-38dce17f-5
0.397
MAK-UNK-e4a48a85-7
0.396
DRR-IMP-38dce17f-6
0.395
PAU-UNI-8cdd41c7-1
0.395
MAK-UNK-10dfa458-45
0.394
TAM-UNI-d1c3dd9f-12
0.391
MED-COV-4280ac29-24
0.389
SAD-SAT-581007d4-2
0.388
MAK-UNK-af83ef51-21
0.385
MAK-UNK-212f693e-8
0.385
AAR-POS-0daf6b7e-13
0.385
LON-WEI-8f408cad-7
0.385
MAK-UNK-7c9d1431-16
0.381
SAD-SAT-5b1897b2-5
0.381
MAK-UNK-7c9d1431-14
0.381
MAR-TRE-6a44bbf2-54
0.381
MED-COV-4280ac29-35
0.378
TAM-UNI-d1c3dd9f-18
0.378
MAK-UNK-af83ef51-19
0.377
MED-COV-4280ac29-19
0.376
MED-COV-4280ac29-1
0.375
DAV-CRI-d1e0885a-3
0.374
DAR-DIA-fb20be43-3
0.374
MAK-UNK-849bee6c-23
0.371
TAM-UNI-d1c3dd9f-16
0.371
MAK-UNK-7c9d1431-20
0.370
SAD-SAT-581007d4-7
0.370
MAT-POS-2db6411e-2
0.370
MAK-UNK-e4a48a85-8
0.370
SAD-SAT-581007d4-1
0.370
SEA-TRI-146a67b6-1
0.368
MAK-UNK-849bee6c-26
0.368
MAK-UNK-3c359d2a-1
0.367
MAK-UNK-176ca439-4
0.367
DRR-IMP-38dce17f-1
0.367
MAK-UNK-849bee6c-1
0.366
FAB-UNK-7ad5ab26-2
0.366
PAT-UNK-b2d83456-1
0.366
JOH-UNI-23d9e1b1-1
0.366
DAV-CRI-d1e0885a-2
0.366
DAV-CRI-d1e0885a-1
0.365
MAK-UNK-10dfa458-38
0.365
MAK-UNK-7c9d1431-18
0.364
MED-COV-4280ac29-8
0.363
MED-COV-4280ac29-25
0.363
MAK-UNK-7c9d1431-28
0.362
STE-KUL-2e0d2e88-7
0.360
MAR-LAB-ca4662a6-2
0.358
JOH-UNI-0e1753c1-2
0.358
DAR-DIA-fb20be43-17
0.356
MAK-UNK-849bee6c-22
0.356
MAK-UNK-849bee6c-25
0.356
PAU-UNI-19862c28-1
0.356
DAR-DIA-fb20be43-8
0.356
DAR-DIA-fb20be43-6
0.355
JIA-UNI-93b03cae-1
0.354
SEL-UNI-cd366922-7
0.352
TAM-UNI-d1c3dd9f-5
0.351
MAK-UNK-e4a48a85-22
0.351
MAK-UNK-6ca90168-13
0.349
NEH-REV-107bcf72-5
0.349
DAR-DIA-fb20be43-1
0.348
TAM-UNI-d1c3dd9f-17
0.348
AAR-POS-0daf6b7e-17
0.346
LON-WEI-8f408cad-5
0.346