Molecular Properties | |
SMILES: | N#C[C@H](c1ccccc1)N1CCN(C(=O)CCl)CC1 |
MW: | 277.1 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 47.34 |
cLogP: | 1.63 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
N-C-Hal or cyano methyl
MAR-TRE-6a44bbf2-77
0.673
SIM-SYN-f15aaa3a-1
0.574
GIA-UNK-20b63697-7
0.517
MAK-UNK-10dfa458-39
0.508
DAR-DIA-3e9bbd81-11
0.500
GIA-UNK-7337c2f3-1
0.492
GIA-UNK-20b63697-1
0.492
GIA-UNK-7337c2f3-8
0.485
GIA-UNK-7337c2f3-4
0.484
SEL-UNI-cd366922-5
0.484
GIA-UNK-7337c2f3-7
0.484
GIA-UNK-7337c2f3-3
0.477
GIA-UNK-7337c2f3-6
0.477
GIA-UNK-7337c2f3-10
0.477
GIA-UNK-4de5abb1-1
0.477
GIA-UNK-20b63697-6
0.477
SEL-UNI-cd366922-2
0.470
GIA-UNK-7337c2f3-2
0.470
DAR-DIA-3e9bbd81-12
0.470
GIA-UNK-7337c2f3-12
0.463
GIA-UNK-7337c2f3-5
0.463
GIA-UNK-7337c2f3-9
0.463
GIA-UNK-20b63697-2
0.456
GIA-UNK-20b63697-3
0.456
GIA-UNK-20b63697-4
0.456
GIA-UNK-20b63697-5
0.456
GIA-UNK-7337c2f3-15
0.451
GIA-UNK-20b63697-8
0.449
GIA-UNK-7337c2f3-11
0.443
MAK-UNK-6ca90168-11
0.443
PAU-WEI-b9b69149-4
0.442
GIA-UNK-7337c2f3-13
0.437
DRR-IMP-38dce17f-3
0.431
MAK-UNK-987948f6-2
0.431
MAK-UNK-7c9d1431-24
0.431
MAK-UNK-af83ef51-2
0.431
MED-COV-4280ac29-6
0.429
AHN-SAT-de2502ba-7
0.426
GIA-UNK-20b63697-9
0.425
MAK-UNK-7c9d1431-27
0.415
GIA-UNK-7337c2f3-14
0.413
MAK-UNK-7c9d1431-9
0.403
MAR-TRE-6a44bbf2-21
0.403
AHN-SAT-de2502ba-1
0.400
PAU-WEI-b9b69149-1
0.400
MAK-UNK-6ca90168-9
0.400
NIM-UNI-ed9fc491-3
0.395
MED-COV-4280ac29-23
0.394
SAD-SAT-1b030f84-9
0.391
MED-COV-4280ac29-7
0.389
MAK-UNK-6ca90168-17
0.389
MAK-UNK-6ca90168-18
0.389
MAK-UNK-6ca90168-8
0.386
MAK-UNK-7c9d1431-23
0.385
MAR-TRE-6a44bbf2-28
0.385
SAD-SAT-65574d3f-1
0.385
AHN-SAT-de2502ba-14
0.385
MED-COV-dea4df70-1
0.384
MAK-UNK-6ca90168-6
0.382
DAR-DIA-3e9bbd81-16
0.381
MED-COV-4280ac29-18
0.380
MAK-UNK-6ca90168-7
0.380
MAK-UNK-15efde89-1
0.379
MIH-UNI-e573136b-7
0.378
DRR-IMP-38dce17f-7
0.375
LON-WEI-8f408cad-5
0.375
AAR-POS-0daf6b7e-17
0.375
MAK-UNK-6ca90168-14
0.375
MAK-UNK-987948f6-3
0.375
PAU-WEI-b9b69149-6
0.373
SEL-UNI-cd366922-9
0.373
MAR-TRE-6a44bbf2-7
0.371
AAR-POS-d2a4d1df-37
0.371
WAL-WAB-df110a02-2
0.368
WAR-XCH-79d12f6e-7
0.368
MAK-UNK-704ed37c-11
0.365
SAD-SAT-5b1897b2-10
0.365
AAR-POS-0daf6b7e-16
0.365
GIA-UNK-4de5abb1-4
0.365
GIA-UNK-4de5abb1-5
0.365
SIM-SYN-f15aaa3a-2
0.364
GIA-UNK-4de5abb1-2
0.364
GIA-UNK-c4371e97-2
0.364
SWA-SYN-6423ea73-1
0.364
SAD-SAT-89668ff1-8
0.364
SWA-SYN-d2e6fa14-1
0.364
AAR-POS-0daf6b7e-5
0.364
MAK-UNK-704ed37c-12
0.364
MAK-UNK-7c9d1431-12
0.364
MAK-UNK-6c8f5f75-1
0.364
STE-KUL-2e0d2e88-1
0.362
SWA-SYN-d2e6fa14-7
0.362
SWA-SYN-6423ea73-7
0.362
PAU-WEI-b9b69149-5
0.360
YOI-UNK-12211982-6
0.360
YOI-UNK-a533afbc-6
0.360
AAR-POS-0daf6b7e-18
0.359
SAD-SAT-5b1897b2-3
0.359
MAK-UNK-6ca90168-10
0.359
DAV-CRI-d1e0885a-1
0.357