Molecular Properties | |
SMILES: | N#Cc1cccc(C(c2ccccc2)N2CCN(C(=O)CCl)CC2)c1 |
MW: | 353.13 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 47.34 |
cLogP: | 3.03 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
SIM-SYN-f15aaa3a-1
0.672
GIA-UNK-7337c2f3-2
0.652
DAR-DIA-3e9bbd81-12
0.652
GIA-UNK-7337c2f3-5
0.642
GIA-UNK-7337c2f3-8
0.642
GIA-UNK-7337c2f3-11
0.614
GIA-UNK-7337c2f3-13
0.606
GIA-UNK-7337c2f3-15
0.597
GIA-UNK-4de5abb1-1
0.588
GIA-UNK-7337c2f3-1
0.582
GIA-UNK-7337c2f3-7
0.574
GIA-UNK-7337c2f3-4
0.574
GIA-UNK-7337c2f3-10
0.565
PAU-WEI-b9b69149-4
0.557
GIA-UNK-7337c2f3-12
0.549
MED-COV-4280ac29-6
0.522
DAR-DIA-3e9bbd81-7
0.519
MED-COV-4280ac29-18
0.507
GIA-UNK-7337c2f3-3
0.500
GIA-UNK-7337c2f3-6
0.500
MED-COV-4280ac29-23
0.500
MAR-TRE-6a44bbf2-92
0.500
DAR-DIA-3e9bbd81-16
0.488
GIA-UNK-7337c2f3-9
0.486
PAU-WEI-b9b69149-6
0.482
PAU-WEI-b9b69149-5
0.466
GIA-UNK-7337c2f3-14
0.457
MED-COV-4280ac29-7
0.455
GIA-UNK-20b63697-1
0.452
GIA-UNK-20b63697-7
0.451
GIA-UNK-4de5abb1-4
0.449
MAT-POS-ee51dedd-1
0.446
MED-COV-4280ac29-34
0.440
GIA-UNK-4de5abb1-2
0.427
SEL-UNI-cd366922-5
0.427
MAK-UNK-6ca90168-12
0.426
GIA-UNK-20b63697-4
0.423
GIA-UNK-20b63697-6
0.421
SEA-TRI-8222e606-1
0.420
GIA-UNK-20b63697-8
0.418
SEL-UNI-cd366922-2
0.416
PAU-WEI-3e86dfd8-2
0.415
WAL-WAB-df110a02-2
0.415
GIA-UNK-4de5abb1-5
0.412
SEA-TRI-2c7f3de8-1
0.410
SIM-SYN-f15aaa3a-2
0.410
MAK-UNK-10dfa458-39
0.408
GIA-UNK-20b63697-5
0.405
GIA-UNK-20b63697-2
0.405
GIA-UNK-20b63697-3
0.405
NEH-REV-107bcf72-2
0.400
GIA-UNK-20b63697-9
0.398
MAK-UNK-10dfa458-40
0.392
MED-COV-4280ac29-21
0.389
TAM-UNI-d1c3dd9f-18
0.386
MAK-UNK-af83ef51-2
0.382
SWA-SYN-6423ea73-7
0.377
SWA-SYN-d2e6fa14-7
0.377
PAU-WEI-b9b69149-1
0.376
DAR-DIA-fb20be43-6
0.376
AHN-SAT-de2502ba-7
0.375
TAT-ENA-80bfd3e5-10
0.373
GIA-UNK-c4371e97-3
0.373
MAK-UNK-6ca90168-11
0.370
MAK-UNK-987948f6-3
0.370
DRR-IMP-38dce17f-7
0.370
MAK-UNK-6ca90168-14
0.370
TAM-UNI-d1c3dd9f-17
0.369
MAK-UNK-ec98eaf6-51
0.368
MAR-TRE-6a44bbf2-77
0.368
MAR-TRE-6a44bbf2-28
0.360
GIA-UNK-c4371e97-2
0.360
MAK-UNK-7c9d1431-23
0.360
MAK-UNK-6ca90168-7
0.358
MIH-UNI-e573136b-7
0.357
MAK-UNK-7c9d1431-24
0.357
DRR-IMP-38dce17f-3
0.357
MAK-UNK-987948f6-2
0.357
MAK-UNK-6ca90168-9
0.355
PAU-WEI-f734c343-3
0.354
SEL-UNI-cd366922-9
0.353
DRR-IMP-dff87f5e-9
0.351
DAR-DIA-3e9bbd81-6
0.351
NIR-THE-c331be7a-2
0.349
DAR-DIA-fb20be43-3
0.349
DAR-DIA-3e9bbd81-15
0.348
MAK-UNK-6ca90168-8
0.346
NIM-UNI-310206f0-21
0.343
NIM-UNI-310206f0-35
0.343
PAU-WEI-f734c343-2
0.343
AAR-POS-0daf6b7e-16
0.342
SWA-SYN-6423ea73-1
0.342
SWA-SYN-d2e6fa14-1
0.342
MAK-UNK-6ca90168-6
0.342
VIK-SYN-9a3d118a-8
0.341
AHN-SAT-de2502ba-1
0.341
MAR-TRE-6a44bbf2-21
0.338
MAK-UNK-7c9d1431-9
0.338
MAK-UNK-15efde89-1
0.338
SAD-SAT-c989feaa-2
0.337