Molecular Properties | |
SMILES: | N#Cc1ncc(CCc2cccc(CN3CCN(C(=O)CCl)CC3)c2)cn1 |
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-8
0.658
MAK-UNK-849bee6c-7
0.658
MAK-UNK-849bee6c-16
0.628
MAK-UNK-849bee6c-14
0.623
MAK-UNK-849bee6c-12
0.608
MAK-UNK-849bee6c-4
0.608
MAT-POS-ee51dedd-1
0.586
JOK-SYG-18591e8f-1
0.528
MAK-UNK-849bee6c-6
0.524
HYO-UNK-49a60884-1
0.522
AAR-POS-d2a4d1df-35
0.522
MED-COV-4280ac29-15
0.522
JOH-UNI-0e1753c1-3
0.522
MAK-UNK-849bee6c-17
0.517
AAR-POS-d2a4d1df-24
0.514
DRR-IMP-38dce17f-2
0.507
MAK-UNK-849bee6c-3
0.500
DRR-IMP-38dce17f-3
0.500
MAK-UNK-849bee6c-13
0.500
MAK-UNK-7c9d1431-24
0.500
MAK-UNK-849bee6c-15
0.494
MAK-UNK-849bee6c-5
0.488
MAK-UNK-6ca90168-14
0.486
DRR-IMP-38dce17f-7
0.486
TAM-UNI-d1c3dd9f-12
0.464
DRR-IMP-38dce17f-4
0.458
WIL-LEE-23e8b574-3
0.455
DRR-IMP-38dce17f-6
0.443
MAK-UNK-af83ef51-1
0.430
MAK-UNK-7c9d1431-29
0.429
MAK-UNK-af83ef51-20
0.421
MAK-UNK-176ca439-7
0.420
MAK-UNK-cd94b63c-1
0.419
MAK-UNK-176ca439-3
0.419
JAN-GHE-1d98ec1c-2
0.418
MAK-UNK-e4a48a85-7
0.418
MED-COV-4280ac29-35
0.417
MAK-UNK-10dfa458-45
0.415
MED-COV-4280ac29-19
0.414
MED-COV-4280ac29-1
0.408
PAT-UNK-b2d83456-1
0.408
DRR-IMP-38dce17f-5
0.405
SAD-SAT-5b1897b2-5
0.405
MAK-UNK-7c9d1431-16
0.405
MAK-UNK-7c9d1431-14
0.405
MAR-TRE-6a44bbf2-54
0.405
DAR-DIA-fb20be43-4
0.405
BRU-LEF-ae0885ba-1
0.405
PAU-UNI-52c0427f-1
0.405
MAK-UNK-849bee6c-2
0.404
MAK-UNK-af83ef51-21
0.404
PAU-UNI-8cdd41c7-1
0.403
TAM-UNI-d1c3dd9f-18
0.400
MED-COV-4280ac29-25
0.400
MED-COV-4280ac29-8
0.400
MAK-UNK-849bee6c-26
0.400
STE-KUL-2e0d2e88-7
0.398
MAK-UNK-af83ef51-19
0.396
DAV-CRI-d1e0885a-3
0.395
DAR-DIA-fb20be43-3
0.395
SAD-SAT-581007d4-1
0.395
JIA-UNI-93b03cae-1
0.395
TAM-UNI-d1c3dd9f-16
0.393
AAR-POS-0daf6b7e-13
0.392
DRR-IMP-38dce17f-1
0.392
LON-WEI-8f408cad-7
0.392
MAK-UNK-212f693e-8
0.392
MAK-UNK-176ca439-2
0.391
MAK-UNK-849bee6c-23
0.390
MAK-UNK-849bee6c-25
0.388
DAV-CRI-d1e0885a-1
0.388
MAK-UNK-176ca439-4
0.387
MAK-UNK-3c359d2a-1
0.387
MAK-UNK-7c9d1431-28
0.387
DAV-CRI-d1e0885a-2
0.386
MAK-UNK-7c9d1431-18
0.386
MAK-UNK-849bee6c-1
0.385
TAM-UNI-d1c3dd9f-17
0.384
MAK-UNK-7c9d1431-21
0.380
MED-COV-4280ac29-24
0.379
MAT-POS-2db6411e-2
0.377
MAK-UNK-7c9d1431-20
0.377
SAD-SAT-581007d4-7
0.377
SAD-SAT-581007d4-2
0.377
MAK-UNK-e4a48a85-8
0.375
DAR-DIA-fb20be43-6
0.375
DAR-DIA-fb20be43-17
0.375
MAK-UNK-849bee6c-22
0.374
TAM-UNI-d1c3dd9f-19
0.372
SEL-UNI-cd366922-7
0.372
MAK-UNK-15efde89-1
0.372
JOH-UNI-23d9e1b1-1
0.372
MAK-UNK-6ca90168-13
0.372
FAB-UNK-7ad5ab26-2
0.371
TAM-UNI-d1c3dd9f-5
0.371
MAK-UNK-10dfa458-39
0.370
MAK-UNK-10dfa458-38
0.370
LON-WEI-8f408cad-5
0.368
AAR-POS-0daf6b7e-17
0.368
DAR-DIA-fb20be43-1
0.368