Molecular Properties | |
SMILES: | N#Cc1ncc(-c2cccc(CN3CCN(C(=O)CCl)CC3)c2)cn1 |
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-9
0.658
MAK-UNK-849bee6c-4
0.636
MAK-UNK-849bee6c-14
0.632
MAK-UNK-849bee6c-6
0.628
MAK-UNK-849bee6c-12
0.615
MAK-UNK-849bee6c-16
0.615
MAK-UNK-849bee6c-5
0.588
MAT-POS-ee51dedd-1
0.571
DRR-IMP-38dce17f-2
0.536
AAR-POS-d2a4d1df-35
0.529
HYO-UNK-49a60884-1
0.529
JOH-UNI-0e1753c1-3
0.529
MED-COV-4280ac29-15
0.529
MAK-UNK-849bee6c-3
0.523
AAR-POS-d2a4d1df-24
0.522
MAK-UNK-849bee6c-15
0.517
MAK-UNK-849bee6c-8
0.512
MAK-UNK-849bee6c-13
0.506
MAK-UNK-849bee6c-17
0.506
JOK-SYG-18591e8f-1
0.493
MAK-UNK-6ca90168-14
0.471
DRR-IMP-38dce17f-7
0.471
DRR-IMP-38dce17f-4
0.465
MAK-UNK-7c9d1431-24
0.463
DRR-IMP-38dce17f-3
0.463
MAK-UNK-af83ef51-1
0.455
MAK-UNK-c74072e5-7
0.441
MAK-UNK-10dfa458-45
0.435
DRR-IMP-38dce17f-6
0.429
SAD-SAT-5b1897b2-5
0.429
MAK-UNK-af83ef51-20
0.426
MAK-UNK-849bee6c-2
0.424
MAK-UNK-cd94b63c-1
0.424
MAK-UNK-176ca439-3
0.424
MED-COV-4280ac29-25
0.422
MED-COV-4280ac29-35
0.422
TAM-UNI-d1c3dd9f-12
0.419
MAK-UNK-212f693e-8
0.417
DAV-CRI-d1e0885a-3
0.417
LON-WEI-8f408cad-7
0.417
AAR-POS-0daf6b7e-13
0.417
TAM-UNI-d1c3dd9f-16
0.415
MAK-UNK-7c9d1431-29
0.414
MAK-UNK-af83ef51-19
0.414
MED-COV-4280ac29-1
0.412
DRR-IMP-38dce17f-5
0.411
MAK-UNK-7c9d1431-14
0.410
MAR-TRE-6a44bbf2-54
0.410
MAK-UNK-7c9d1431-16
0.410
PAU-UNI-52c0427f-1
0.410
DAR-DIA-fb20be43-4
0.410
BRU-LEF-ae0885ba-1
0.410
PAU-UNI-8cdd41c7-1
0.408
MAK-UNK-849bee6c-23
0.408
MAK-UNK-af83ef51-21
0.408
DAV-CRI-d1e0885a-2
0.407
MAK-UNK-176ca439-4
0.407
MAK-UNK-3c359d2a-1
0.407
MAK-UNK-e4a48a85-8
0.406
TAM-UNI-d1c3dd9f-18
0.405
MAK-UNK-849bee6c-1
0.404
MAK-UNK-849bee6c-26
0.404
MED-COV-4280ac29-19
0.402
DAR-DIA-fb20be43-3
0.400
DRR-IMP-38dce17f-1
0.397
MAK-UNK-176ca439-2
0.396
DAR-DIA-fb20be43-6
0.395
PAT-UNK-b2d83456-1
0.395
DAV-CRI-d1e0885a-1
0.392
MAK-UNK-e4a48a85-7
0.391
MAK-UNK-e4a48a85-21
0.391
MAK-UNK-7c9d1431-18
0.390
FAB-UNK-7ad5ab26-2
0.389
MED-COV-4280ac29-8
0.388
STE-KUL-2e0d2e88-7
0.386
MED-COV-4280ac29-24
0.384
JOO-PER-58e158bd-1
0.384
JIA-UNI-93b03cae-1
0.382
MAK-UNK-7c9d1431-20
0.382
MAT-POS-2db6411e-2
0.382
SAD-SAT-581007d4-1
0.382
SAD-SAT-581007d4-7
0.382
SAD-SAT-581007d4-2
0.382
MAK-UNK-849bee6c-22
0.378
MAK-UNK-849bee6c-25
0.378
NEH-REV-107bcf72-5
0.377
JOH-UNI-23d9e1b1-1
0.377
SEL-UNI-cd366922-7
0.376
TAM-UNI-d1c3dd9f-19
0.376
TAM-UNI-d1c3dd9f-5
0.375
MAK-UNK-10dfa458-38
0.374
MAK-UNK-e4a48a85-22
0.374
VIT-UNK-2a0afa28-3
0.373
LON-WEI-8f408cad-5
0.373
AAR-POS-0daf6b7e-17
0.373
MAK-UNK-7c9d1431-28
0.373
DAR-DIA-fb20be43-1
0.372
TAM-UNI-d1c3dd9f-17
0.372
MED-COV-4280ac29-33
0.370
WIL-LEE-23e8b574-3
0.370