Molecular Properties | |
SMILES: | N#Cc1nccc(Oc2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1 |
MW: | 371.11 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 82.35 |
cLogP: | 2.02 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-849bee6c-12
0.651
MAK-UNK-849bee6c-6
0.586
MAK-UNK-849bee6c-17
0.560
MAK-UNK-849bee6c-3
0.560
MAK-UNK-849bee6c-15
0.554
MAK-UNK-849bee6c-8
0.549
MAK-UNK-849bee6c-7
0.506
MAK-UNK-849bee6c-9
0.500
MAK-UNK-849bee6c-14
0.500
MAT-POS-ee51dedd-1
0.494
MAK-UNK-849bee6c-16
0.489
MAK-UNK-849bee6c-4
0.489
AAR-POS-d2a4d1df-24
0.468
MAK-UNK-849bee6c-5
0.468
MAK-UNK-af83ef51-20
0.465
MAK-UNK-3c359d2a-1
0.463
MAK-UNK-176ca439-4
0.463
MAK-UNK-10dfa458-45
0.459
HYO-UNK-49a60884-1
0.456
MED-COV-4280ac29-15
0.456
AAR-POS-d2a4d1df-35
0.456
JOH-UNI-0e1753c1-3
0.456
MAK-UNK-849bee6c-2
0.449
DRR-IMP-38dce17f-2
0.444
DRR-IMP-38dce17f-4
0.438
JOK-SYG-18591e8f-1
0.429
MAK-UNK-af83ef51-19
0.425
MAK-UNK-cd94b63c-1
0.419
MAK-UNK-176ca439-3
0.419
DRR-IMP-38dce17f-7
0.407
MAK-UNK-6ca90168-14
0.407
DRR-IMP-38dce17f-3
0.397
MAK-UNK-7c9d1431-24
0.397
MAK-UNK-7c9d1431-29
0.392
PAU-UNI-8cdd41c7-1
0.388
DRR-IMP-38dce17f-6
0.388
MAK-UNK-af83ef51-21
0.380
FAB-UNK-7ad5ab26-2
0.375
SAD-SAT-5b1897b2-5
0.375
DAV-CRI-d1e0885a-1
0.375
DRR-IMP-38dce17f-5
0.373
TAM-UNI-d1c3dd9f-12
0.371
MED-COV-4280ac29-1
0.370
MAK-UNK-849bee6c-23
0.367
MAK-UNK-af83ef51-1
0.367
TAM-UNI-d1c3dd9f-16
0.366
MAT-POS-2db6411e-2
0.365
SAD-SAT-581007d4-1
0.365
SAD-SAT-581007d4-7
0.365
SAD-SAT-581007d4-2
0.365
DAR-DIA-fb20be43-6
0.365
MAK-UNK-849bee6c-26
0.364
MAK-UNK-849bee6c-1
0.362
SEL-UNI-cd366922-7
0.362
MAK-UNK-7c9d1431-16
0.360
MAK-UNK-7c9d1431-14
0.360
MAR-TRE-6a44bbf2-54
0.360
TAM-UNI-d1c3dd9f-18
0.358
MAK-UNK-ed378e62-23
0.357
MED-COV-4280ac29-33
0.356
MAK-UNK-849bee6c-21
0.355
STE-KUL-2e0d2e88-7
0.355
DAR-DIA-fb20be43-3
0.354
MAK-UNK-e4a48a85-8
0.354
MAK-UNK-176ca439-2
0.353
MAK-UNK-849bee6c-22
0.352
MAK-UNK-849bee6c-25
0.352
MAK-UNK-e4a48a85-7
0.350
PAU-UNI-52c0427f-1
0.347
DAR-DIA-fb20be43-4
0.347
BRU-LEF-ae0885ba-1
0.347
MAK-UNK-10dfa458-38
0.347
LON-WEI-8f408cad-7
0.345
MAK-UNK-212f693e-8
0.345
DRR-IMP-38dce17f-1
0.345
AAR-POS-0daf6b7e-13
0.345
PAT-UNK-b2d83456-1
0.345
MAK-UNK-7c9d1431-18
0.344
MED-COV-4280ac29-35
0.344
MED-COV-4280ac29-25
0.344
MED-COV-4280ac29-19
0.343
MAK-UNK-849bee6c-20
0.342
AAR-POS-0daf6b7e-17
0.341
LON-WEI-8f408cad-5
0.341
MAK-UNK-7c9d1431-28
0.341
SAD-SAT-581007d4-3
0.341
DAR-DIA-fb20be43-5
0.340
JOO-PER-58e158bd-1
0.340
MED-COV-4280ac29-24
0.340
DAV-CRI-d1e0885a-3
0.340
DAV-CRI-d1e0885a-6
0.337
ANT-STE-dbb91f63-2
0.337
JIA-UNI-93b03cae-1
0.333
MAK-UNK-ed378e62-13
0.333
TAM-UNI-d1c3dd9f-6
0.333
MAK-UNK-7c9d1431-20
0.333
DAV-CRI-d1e0885a-2
0.333
MAK-UNK-e4a48a85-19
0.330
MAK-UNK-e4a48a85-27
0.330
MAK-UNK-849bee6c-18
0.330