Molecular Properties | |
SMILES: | N#Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1 |
MW: | 291.08 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 64.41 |
cLogP: | 1.08 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
DRR-IMP-db50bf6e-3
0.640
DRR-IMP-db50bf6e-1
0.627
AHN-SAT-de2502ba-8
0.627
AAR-POS-d2a4d1df-25
0.627
MAK-UNK-987948f6-2
0.588
DRR-IMP-38dce17f-7
0.564
MAK-UNK-6ca90168-14
0.564
MAK-UNK-6ca90168-20
0.537
SWA-SYN-6423ea73-7
0.533
SWA-SYN-d2e6fa14-7
0.533
DRR-IMP-db50bf6e-2
0.517
SAD-SAT-3a925b8b-5
0.509
ASH-SAT-43770c7d-10
0.509
DRR-IMP-dff87f5e-9
0.500
MAK-UNK-6ca90168-15
0.483
TAT-ENA-80bfd3e5-2
0.478
YOI-UNK-090ea88a-1
0.471
MAK-UNK-6ca90168-18
0.460
MAT-POS-ee51dedd-1
0.453
SAD-SAT-581007d4-5
0.450
SAD-SAT-1b030f84-9
0.442
MAK-UNK-6ca90168-6
0.438
MAK-UNK-6ca90168-9
0.435
MAK-UNK-6ca90168-17
0.431
AAR-POS-d2a4d1df-29
0.431
MAR-TRE-6a44bbf2-61
0.431
JOH-UNI-27ac80fd-25
0.424
AAR-POS-0daf6b7e-16
0.424
SAD-SAT-581007d4-6
0.415
FAB-UNK-7ad5ab26-3
0.413
MAK-UNK-704ed37c-11
0.408
SAD-SAT-3a925b8b-4
0.407
SAD-SAT-3a925b8b-1
0.400
SAD-SAT-1b030f84-5
0.400
MAK-UNK-6ca90168-8
0.397
MAK-UNK-6ca90168-1
0.394
MAK-UNK-6ca90168-7
0.391
FAB-UNK-03d90bbc-1
0.390
FAB-UNK-7ad5ab26-1
0.390
FAB-NA_-a03f4448-1
0.390
DAV-CRI-d1e0885a-1
0.388
AAR-POS-0daf6b7e-21
0.388
SAD-SAT-f2e2579e-10
0.387
TAM-UNI-d1c3dd9f-17
0.384
TAM-UNI-d1c3dd9f-18
0.384
AAR-POS-d2a4d1df-37
0.382
MAR-TRE-6a44bbf2-7
0.382
DAR-DIA-fb20be43-3
0.378
TAM-UNI-d1c3dd9f-16
0.375
MAR-TRE-6a44bbf2-92
0.375
MAK-UNK-6ca90168-5
0.373
DRR-IMP-38dce17f-3
0.373
MAK-UNK-7c9d1431-24
0.373
VIK-SYN-9a3d118a-8
0.371
AAR-POS-0daf6b7e-13
0.371
MAK-UNK-212f693e-8
0.371
LON-WEI-8f408cad-7
0.371
MAK-UNK-6ca90168-10
0.371
DAR-DIA-fb20be43-4
0.370
BRU-LEF-ae0885ba-1
0.370
PAU-UNI-52c0427f-1
0.370
DAR-DIA-3e9bbd81-11
0.370
FAB-UNK-7ad5ab26-2
0.369
MAK-UNK-7c9d1431-29
0.367
MAR-TRE-6a44bbf2-77
0.364
BEN-DND-76ad4ac9-8
0.364
MAK-UNK-f983951f-23
0.362
DRR-IMP-38dce17f-6
0.361
MAK-UNK-987948f6-5
0.358
MAK-UNK-6ca90168-16
0.358
DAR-DIA-fb20be43-6
0.355
MAR-TRE-6a44bbf2-78
0.354
MAK-UNK-6ca90168-4
0.354
MAK-UNK-7c9d1431-13
0.354
SWA-SYN-d2e6fa14-1
0.354
SWA-SYN-6423ea73-1
0.354
SAD-SAT-89668ff1-8
0.354
MAR-TRE-6a44bbf2-29
0.353
MAK-UNK-10dfa458-40
0.352
MAK-UNK-704ed37c-12
0.352
MAK-UNK-6c8f5f75-1
0.352
SAD-SAT-6b5a89f0-3
0.351
MAR-TRE-6a44bbf2-1
0.351
MAK-UNK-10dfa458-38
0.350
AHN-SAT-de2502ba-7
0.349
FAB-UNK-2931f40a-1
0.349
MAK-UNK-10dfa458-39
0.348
SAD-SAT-5b1897b2-9
0.345
MAK-UNK-987948f6-4
0.345
MAK-UNK-704ed37c-10
0.345
SAD-SAT-1b030f84-8
0.345
MAK-UNK-52a1ef4b-1
0.345
MAT-POS-162a9720-4
0.344
MAT-POS-162a9720-5
0.344
MED-COV-4280ac29-24
0.342
MAK-UNK-10dfa458-44
0.341
TOB-UNK-c2aba166-1
0.339
SIM-SYN-f15aaa3a-1
0.339
PAU-UNI-8cdd41c7-1
0.339
MAK-UNK-52a1ef4b-2
0.339