Molecular Properties | |
SMILES: | N#Cc1ccc(-c2cc(CN3CCN(C(=O)CCl)CC3)cc3cnccc23)cc1 |
MW: | 404.901 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 60.23 |
cLogP: | 3.65648 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-6ca90168-14
0.494
DRR-IMP-38dce17f-7
0.494
JOO-PER-58e158bd-1
0.489
MAT-POS-ee51dedd-1
0.419
DRR-IMP-38dce17f-6
0.418
DRR-IMP-38dce17f-4
0.415
TAM-UNI-d1c3dd9f-16
0.407
MAK-UNK-849bee6c-7
0.389
MAK-UNK-849bee6c-2
0.388
PAU-UNI-8cdd41c7-1
0.383
MAK-UNK-849bee6c-12
0.380
DAR-DIA-fb20be43-3
0.379
SAD-SAT-581007d4-7
0.376
MAT-POS-2db6411e-2
0.376
MAK-UNK-849bee6c-5
0.376
MAK-UNK-849bee6c-6
0.376
DAR-DIA-fb20be43-6
0.375
MAK-UNK-849bee6c-3
0.375
MAK-UNK-849bee6c-13
0.375
PAU-UNI-52c0427f-1
0.372
BRU-LEF-ae0885ba-1
0.372
DAR-DIA-fb20be43-4
0.372
MAK-UNK-849bee6c-9
0.371
MAK-UNK-987948f6-3
0.369
TAM-UNI-d1c3dd9f-17
0.368
TAM-UNI-d1c3dd9f-18
0.368
MED-COV-4280ac29-35
0.368
DRR-IMP-dff87f5e-9
0.368
MAK-UNK-849bee6c-4
0.366
MAK-UNK-849bee6c-16
0.366
MAK-UNK-af83ef51-1
0.363
MAK-UNK-849bee6c-25
0.361
SAD-SAT-581007d4-2
0.360
SAD-SAT-581007d4-1
0.360
MAK-UNK-849bee6c-14
0.360
MAK-UNK-7c9d1431-24
0.358
DRR-IMP-38dce17f-3
0.358
MAK-UNK-7c9d1431-29
0.354
DRR-IMP-38dce17f-5
0.353
MAK-UNK-849bee6c-8
0.352
DAV-CRI-d1e0885a-3
0.351
MAK-UNK-849bee6c-17
0.349
MED-COV-4280ac29-15
0.349
AAR-POS-d2a4d1df-35
0.349
HYO-UNK-49a60884-1
0.349
JOH-UNI-0e1753c1-3
0.349
MAK-UNK-849bee6c-22
0.349
MAK-UNK-10dfa458-44
0.349
MAK-UNK-849bee6c-1
0.346
MAK-UNK-849bee6c-15
0.346
AAR-POS-d2a4d1df-24
0.345
SWA-SYN-6423ea73-7
0.344
SWA-SYN-d2e6fa14-7
0.344
MAK-UNK-849bee6c-24
0.343
AAR-POS-0daf6b7e-13
0.341
MAK-UNK-212f693e-8
0.341
LON-WEI-8f408cad-7
0.341
DRR-IMP-38dce17f-2
0.341
MAK-UNK-7c9d1431-14
0.341
DAV-CRI-d1e0885a-1
0.341
MAK-UNK-849bee6c-18
0.340
MAK-UNK-849bee6c-21
0.339
MAK-UNK-849bee6c-20
0.339
MAK-UNK-849bee6c-23
0.339
AAR-POS-0daf6b7e-2
0.337
MED-COV-4280ac29-33
0.337
SAD-SAT-581007d4-3
0.337
SAD-SAT-581007d4-4
0.337
DAR-DIA-fb20be43-5
0.337
MAK-UNK-849bee6c-19
0.336
MAK-UNK-849bee6c-26
0.336
MAK-UNK-10dfa458-43
0.333
FAB-UNK-2931f40a-1
0.330
MAK-UNK-af83ef51-22
0.330
DAV-CRI-d1e0885a-2
0.330
SAD-SAT-f2e2579e-10
0.330
SEL-UNI-cd366922-7
0.330
JOK-SYG-18591e8f-1
0.330
JIA-UNI-93b03cae-1
0.330
DAR-DIA-fb20be43-16
0.327
TAM-UNI-d1c3dd9f-1
0.327
MAK-UNK-7c9d1431-16
0.326
MAR-TRE-6a44bbf2-54
0.326
SAD-SAT-5b1897b2-5
0.326
DAR-DIA-fb20be43-17
0.324
MAK-UNK-e4a48a85-23
0.324
BEN-DND-6de5dfa0-16
0.323
NIR-THE-b7e8e081-2
0.323
DAV-CRI-d1e0885a-6
0.320
DAV-CRI-d1e0885a-5
0.320
MAK-UNK-7c9d1431-21
0.319
AAR-POS-0daf6b7e-12
0.318
JOH-UNI-27ac80fd-23
0.318
TAM-UNI-d1c3dd9f-6
0.317
MAK-UNK-af83ef51-25
0.316
MAK-UNK-af83ef51-23
0.316
MED-COV-4280ac29-25
0.313
DAR-DIA-fb20be43-1
0.313
MAK-UNK-7c9d1431-18
0.312
SAD-SAT-5b1897b2-2
0.311