Molecular Properties | |
SMILES: | CN(c1cccc(CN2CCN(C(=O)CCl)CC2)c1)c1ccnc(C#N)n1 |
MW: | 384.15 |
Fraction sp3: | 0.37 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 76.36 |
cLogP: | 2.0 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-849bee6c-14
0.679
MAK-UNK-849bee6c-6
0.562
MAK-UNK-849bee6c-3
0.554
MAK-UNK-849bee6c-13
0.554
MAK-UNK-849bee6c-8
0.543
MAK-UNK-849bee6c-17
0.538
MAK-UNK-849bee6c-7
0.517
MAK-UNK-849bee6c-9
0.494
MAK-UNK-849bee6c-2
0.490
MAT-POS-ee51dedd-1
0.488
MAK-UNK-849bee6c-16
0.484
MAK-UNK-849bee6c-12
0.484
AAR-POS-d2a4d1df-24
0.481
MAK-UNK-849bee6c-4
0.468
MAK-UNK-849bee6c-5
0.463
JOK-SYG-18591e8f-1
0.458
DRR-IMP-38dce17f-2
0.457
HYO-UNK-49a60884-1
0.450
MED-COV-4280ac29-15
0.450
JOH-UNI-0e1753c1-3
0.450
AAR-POS-d2a4d1df-35
0.450
MAK-UNK-176ca439-3
0.430
MAK-UNK-cd94b63c-1
0.430
MAK-UNK-72659d64-5
0.407
MAK-UNK-af83ef51-20
0.404
DRR-IMP-38dce17f-7
0.402
MAK-UNK-6ca90168-14
0.402
MAK-UNK-af83ef51-21
0.402
PAU-UNI-8cdd41c7-1
0.400
MAK-UNK-10dfa458-45
0.398
DRR-IMP-38dce17f-4
0.398
SAD-SAT-581007d4-2
0.393
DRR-IMP-38dce17f-3
0.392
MAK-UNK-7c9d1431-24
0.392
MAK-UNK-849bee6c-23
0.389
SAD-SAT-5b1897b2-5
0.386
MAK-UNK-3c359d2a-1
0.386
MAK-UNK-176ca439-4
0.386
MAK-UNK-849bee6c-26
0.385
MAK-UNK-849bee6c-1
0.385
DRR-IMP-38dce17f-6
0.383
MED-COV-4280ac29-33
0.382
MAK-UNK-af83ef51-1
0.378
TAM-UNI-d1c3dd9f-16
0.376
MAK-UNK-176ca439-2
0.376
MAK-UNK-849bee6c-22
0.374
MAK-UNK-849bee6c-25
0.374
MAR-TRE-6a44bbf2-54
0.371
MAK-UNK-7c9d1431-16
0.371
MAK-UNK-7c9d1431-14
0.371
DAV-CRI-d1e0885a-1
0.371
MAK-UNK-7c9d1431-18
0.370
MAK-UNK-af83ef51-19
0.369
DRR-IMP-38dce17f-5
0.369
TAM-UNI-d1c3dd9f-18
0.368
TAM-UNI-d1c3dd9f-12
0.367
MAK-UNK-849bee6c-18
0.365
MAK-UNK-ed378e62-25
0.365
DAR-DIA-fb20be43-3
0.365
MAK-UNK-849bee6c-20
0.364
MAK-UNK-849bee6c-19
0.362
DAR-DIA-fb20be43-6
0.361
SAD-SAT-581007d4-1
0.360
MAT-POS-2db6411e-2
0.360
SAD-SAT-581007d4-7
0.360
MAK-UNK-e4a48a85-7
0.359
DAR-DIA-fb20be43-4
0.358
BRU-LEF-ae0885ba-1
0.358
PAU-UNI-52c0427f-1
0.358
DAV-CRI-d1e0885a-2
0.357
DRR-IMP-38dce17f-1
0.357
PAT-UNK-b2d83456-1
0.356
MAK-UNK-849bee6c-24
0.355
MED-COV-4280ac29-1
0.355
MAK-UNK-7c9d1431-29
0.354
MAK-UNK-849bee6c-21
0.352
SAD-SAT-581007d4-4
0.352
MAK-UNK-e4a48a85-19
0.351
MED-COV-4280ac29-24
0.351
DAV-CRI-d1e0885a-3
0.351
MAK-UNK-e4a48a85-18
0.349
AHN-SAT-de2502ba-15
0.348
MAK-UNK-c74072e5-7
0.347
FAB-UNK-7ad5ab26-2
0.346
MAK-UNK-10dfa458-43
0.346
MAK-UNK-7c9d1431-20
0.345
SEL-UNI-cd366922-7
0.344
TAM-UNI-d1c3dd9f-6
0.343
STU-CHA-0be58c98-1
0.343
MAK-UNK-10dfa458-38
0.343
MAK-UNK-af83ef51-22
0.343
AAR-POS-0daf6b7e-13
0.341
MAK-UNK-212f693e-8
0.341
LON-WEI-8f408cad-7
0.341
JOH-UNI-23d9e1b1-1
0.341
TAM-UNI-d1c3dd9f-17
0.340
MED-COV-4280ac29-35
0.340
MED-COV-4280ac29-19
0.340
MAK-UNK-e4a48a85-27
0.339
MAK-UNK-e4a48a85-8
0.339