Molecular Properties | |
SMILES: | N#Cc1ccccc1C(Cl)C(=O)N1CCN(C(=O)CCl)CC1 |
MW: | 339.05 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 64.41 |
cLogP: | 1.75 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
secondary_halide_sulfate
Filter6_benzyl_halide
AAR-POS-d2a4d1df-24
MAK-UNK-6ca90168-7
0.641
MAK-UNK-6ca90168-9
0.485
MAK-UNK-6ca90168-6
0.464
MAR-TRE-6a44bbf2-7
0.451
AAR-POS-d2a4d1df-37
0.451
MAK-UNK-987948f6-3
0.397
MAK-UNK-6ca90168-18
0.390
SAD-SAT-89668ff1-8
0.386
MAR-TRE-6a44bbf2-92
0.386
MAK-UNK-987948f6-2
0.385
MAK-UNK-6ca90168-5
0.384
DAV-CRI-d1e0885a-1
0.378
MAK-UNK-6ca90168-14
0.377
DRR-IMP-38dce17f-7
0.377
MED-COV-4280ac29-24
0.370
MAK-UNK-704ed37c-11
0.368
MAK-UNK-6ca90168-17
0.367
SAD-SAT-1b030f84-9
0.365
SWA-SYN-d2e6fa14-7
0.365
SWA-SYN-6423ea73-7
0.365
MAK-UNK-7c9d1431-24
0.364
DRR-IMP-38dce17f-3
0.364
SAD-SAT-f2e2579e-4
0.360
MAT-POS-ee51dedd-1
0.360
MAK-UNK-10dfa458-39
0.360
DRR-IMP-db50bf6e-3
0.358
MAK-UNK-6ca90168-15
0.357
GIA-UNK-7337c2f3-6
0.355
GIA-UNK-7337c2f3-3
0.355
SIM-SYN-f15aaa3a-1
0.353
PAU-UNI-8cdd41c7-1
0.353
DAV-CRI-d1e0885a-6
0.350
DAV-CRI-d1e0885a-5
0.350
MAK-UNK-7c9d1431-12
0.347
MAK-UNK-7c9d1431-20
0.347
GIA-UNK-7337c2f3-9
0.346
DAR-DIA-3e9bbd81-11
0.346
DAV-CRI-d1e0885a-4
0.346
MAK-UNK-10dfa458-38
0.345
MAK-UNK-6ca90168-10
0.343
AHN-SAT-de2502ba-7
0.343
WAR-XCH-72a8c209-6
0.341
MAK-UNK-7c9d1431-29
0.338
DRR-IMP-38dce17f-5
0.338
DRR-IMP-dff87f5e-5
0.338
AAR-POS-d2a4d1df-34
0.338
MAR-TRE-6a44bbf2-8
0.338
MAR-TRE-6a44bbf2-77
0.338
DRR-IMP-dff87f5e-9
0.338
GIA-UNK-4de5abb1-1
0.338
MAK-UNK-6ca90168-20
0.333
SAD-SAT-bc31ec01-10
0.333
BEN-DND-76ad4ac9-4
0.333
JOH-UNI-27ac80fd-23
0.333
DRR-IMP-38dce17f-4
0.333
AAR-POS-d2a4d1df-35
0.333
SAD-SAT-3a925b8b-5
0.333
MAR-TRE-6a44bbf2-61
0.333
DAR-DIA-fb20be43-6
0.333
SAD-SAT-581007d4-5
0.333
AAR-POS-d2a4d1df-25
0.333
AAR-POS-d2a4d1df-29
0.333
AAR-POS-0daf6b7e-12
0.333
DRR-IMP-db50bf6e-1
0.333
DRR-IMP-db50bf6e-2
0.333
JOH-UNI-0e1753c1-3
0.333
HYO-UNK-49a60884-1
0.333
MED-COV-4280ac29-15
0.333
AHN-SAT-de2502ba-8
0.333
AHN-SAT-de2502ba-1
0.329
MAK-UNK-6ca90168-3
0.329
GIA-UNK-7337c2f3-1
0.329
STE-KUL-2e0d2e88-1
0.329
SAD-SAT-581007d4-7
0.329
AAR-POS-d2a4d1df-24
0.329
MAK-UNK-6ca90168-4
0.329
MAT-POS-2db6411e-2
0.329
SWA-SYN-6423ea73-1
0.329
MED-COV-4280ac29-6
0.329
SWA-SYN-d2e6fa14-1
0.329
SAD-SAT-5b1897b2-10
0.329
JOH-UNI-27ac80fd-25
0.329
AAR-POS-0daf6b7e-16
0.329
AAR-POS-0daf6b7e-21
0.328
MAK-UNK-c74072e5-4
0.326
TAM-UNI-d1c3dd9f-18
0.325
MED-COV-4280ac29-35
0.325
GIA-UNK-20b63697-7
0.324
MAK-UNK-7c9d1431-9
0.324
MAR-TRE-6a44bbf2-21
0.324
SAD-SAT-65574d3f-9
0.324
DRR-IMP-38dce17f-1
0.324
SAD-SAT-5b1897b2-3
0.324
MAK-UNK-704ed37c-12
0.323
FAB-UNK-7ad5ab26-3
0.322
DAR-DIA-fb20be43-3
0.321
DAV-CRI-d1e0885a-3
0.321
JON-UIO-066ce08b-8
0.321
AAR-POS-d2a4d1df-41
0.321
TAT-ENA-80bfd3e5-20
0.321