Molecular Properties | |
SMILES: | N#Cc1ncccc1-c1cccc(CN2CCN(C(=O)CCl)CC2)c1 |
MW: | 354.12 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 60.23 |
cLogP: | 2.5 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-849bee6c-7
0.588
MAK-UNK-849bee6c-6
0.576
MAT-POS-ee51dedd-1
0.519
MAK-UNK-849bee6c-1
0.495
MAK-UNK-849bee6c-9
0.488
MAK-UNK-849bee6c-3
0.484
MAK-UNK-849bee6c-17
0.484
JOH-UNI-0e1753c1-3
0.480
HYO-UNK-49a60884-1
0.480
AAR-POS-d2a4d1df-35
0.480
MED-COV-4280ac29-15
0.480
MAK-UNK-849bee6c-4
0.478
AAR-POS-d2a4d1df-24
0.474
MAK-UNK-849bee6c-8
0.473
MAK-UNK-849bee6c-14
0.472
MAK-UNK-849bee6c-13
0.468
DRR-IMP-38dce17f-2
0.468
MAK-UNK-849bee6c-15
0.463
MAK-UNK-849bee6c-16
0.462
MAK-UNK-849bee6c-12
0.462
JOK-SYG-18591e8f-1
0.450
DRR-IMP-38dce17f-4
0.442
DRR-IMP-38dce17f-7
0.429
MAK-UNK-6ca90168-14
0.429
MAK-UNK-3c359d2a-1
0.421
MAK-UNK-176ca439-4
0.421
DRR-IMP-38dce17f-3
0.419
MAK-UNK-7c9d1431-24
0.419
MAK-UNK-10dfa458-45
0.418
MAK-UNK-af83ef51-1
0.417
TAM-UNI-d1c3dd9f-16
0.414
DRR-IMP-38dce17f-5
0.410
MAK-UNK-849bee6c-2
0.408
DRR-IMP-38dce17f-6
0.408
TAM-UNI-d1c3dd9f-12
0.402
MAK-UNK-af83ef51-20
0.396
MAK-UNK-7c9d1431-29
0.395
MAR-TRE-6a44bbf2-54
0.393
MAK-UNK-7c9d1431-16
0.393
MAK-UNK-7c9d1431-14
0.393
MAK-UNK-cd94b63c-1
0.391
MAK-UNK-176ca439-3
0.391
PAU-UNI-8cdd41c7-1
0.390
MAK-UNK-af83ef51-19
0.387
MED-COV-4280ac29-1
0.385
DAV-CRI-d1e0885a-3
0.385
SAD-SAT-581007d4-2
0.383
MAT-POS-2db6411e-2
0.383
SAD-SAT-581007d4-7
0.383
MAK-UNK-176ca439-2
0.381
MAK-UNK-af83ef51-21
0.381
MAK-UNK-849bee6c-20
0.381
MAK-UNK-212f693e-8
0.380
LON-WEI-8f408cad-7
0.380
AAR-POS-0daf6b7e-13
0.380
MAK-UNK-e4a48a85-7
0.378
DAV-CRI-d1e0885a-1
0.376
SAD-SAT-5b1897b2-5
0.376
DAV-CRI-d1e0885a-2
0.376
FAB-UNK-7ad5ab26-2
0.376
MAK-UNK-c74072e5-7
0.375
MAK-UNK-7c9d1431-18
0.375
MED-COV-4280ac29-35
0.374
MED-COV-4280ac29-25
0.374
STE-KUL-2e0d2e88-7
0.371
MAK-UNK-849bee6c-18
0.370
MAK-UNK-849bee6c-21
0.369
MAK-UNK-e4a48a85-8
0.367
MAK-UNK-849bee6c-19
0.366
SAD-SAT-581007d4-1
0.366
DAR-DIA-fb20be43-6
0.366
MAK-UNK-849bee6c-25
0.365
SEA-TRI-146a67b6-1
0.365
MAK-UNK-849bee6c-26
0.364
MAK-UNK-10dfa458-43
0.363
DAR-DIA-fb20be43-4
0.363
PAU-UNI-52c0427f-1
0.363
BRU-LEF-ae0885ba-1
0.363
DRR-IMP-38dce17f-1
0.362
PAT-UNK-b2d83456-1
0.361
MAK-UNK-10dfa458-38
0.361
MAK-UNK-af83ef51-22
0.359
MAK-UNK-849bee6c-24
0.359
TAM-UNI-d1c3dd9f-18
0.359
MED-COV-4280ac29-8
0.359
MAK-UNK-7c9d1431-28
0.358
SAD-SAT-581007d4-4
0.356
MAK-UNK-849bee6c-23
0.355
DAR-DIA-fb20be43-3
0.355
MED-COV-4280ac29-24
0.355
JOO-PER-58e158bd-1
0.355
STU-CHA-464c0256-1
0.354
JOH-UNI-0e1753c1-2
0.354
MAK-UNK-849bee6c-22
0.352
JIA-UNI-93b03cae-1
0.349
MAK-UNK-7c9d1431-20
0.349
SEL-UNI-cd366922-7
0.348
TAM-UNI-d1c3dd9f-5
0.347
NEH-REV-107bcf72-5
0.345
TAM-UNI-d1c3dd9f-17
0.344