Molecular Properties | |
SMILES: | Cc1cc(CN2CCN(C(=O)CCl)CC2)cc(Nc2ccnc(C#N)n2)c1 |
MW: | 384.15 |
Fraction sp3: | 0.37 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.15 |
cLogP: | 2.28 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-849bee6c-3
0.671
MAK-UNK-849bee6c-22
0.659
MAK-UNK-849bee6c-25
0.659
MAK-UNK-849bee6c-23
0.602
MAK-UNK-849bee6c-26
0.596
MAK-UNK-849bee6c-1
0.589
MAK-UNK-849bee6c-20
0.585
MAK-UNK-849bee6c-21
0.576
MAK-UNK-849bee6c-18
0.567
MAK-UNK-849bee6c-19
0.560
MAK-UNK-10dfa458-43
0.554
MAK-UNK-af83ef51-22
0.548
MAK-UNK-849bee6c-24
0.548
MAK-UNK-849bee6c-15
0.490
MAK-UNK-849bee6c-6
0.484
MAK-UNK-10dfa458-19
0.480
SAD-SAT-581007d4-2
0.468
TAM-UNI-d1c3dd9f-16
0.460
MAK-UNK-849bee6c-8
0.454
MAK-UNK-849bee6c-13
0.449
MAK-UNK-849bee6c-17
0.449
MAK-UNK-849bee6c-4
0.442
SAD-SAT-581007d4-4
0.435
MAK-UNK-10dfa458-44
0.431
MAK-UNK-af83ef51-17
0.430
MAK-UNK-849bee6c-7
0.424
PAU-UNI-8cdd41c7-1
0.423
MAK-UNK-10dfa458-13
0.417
AAR-POS-d2a4d1df-24
0.415
MAK-UNK-849bee6c-5
0.408
DRR-IMP-38dce17f-7
0.407
MAK-UNK-6ca90168-14
0.407
MAK-UNK-849bee6c-14
0.406
MAK-UNK-849bee6c-9
0.404
DAV-CRI-d1e0885a-2
0.404
MAK-UNK-849bee6c-16
0.398
DAV-CRI-d1e0885a-3
0.398
MAT-POS-ee51dedd-1
0.391
FAB-UNK-7ad5ab26-2
0.388
DRR-IMP-38dce17f-6
0.388
TAM-UNI-d1c3dd9f-18
0.387
MED-COV-4280ac29-33
0.386
SAD-SAT-581007d4-3
0.386
MAK-UNK-849bee6c-12
0.384
SAD-SAT-581007d4-7
0.381
MAT-POS-2db6411e-2
0.381
SAD-SAT-581007d4-1
0.381
DAR-DIA-fb20be43-4
0.376
BRU-LEF-ae0885ba-1
0.376
PAU-UNI-52c0427f-1
0.376
DAV-CRI-d1e0885a-1
0.375
MED-COV-4280ac29-35
0.372
MED-COV-4280ac29-15
0.369
JOH-UNI-0e1753c1-3
0.369
DRR-IMP-38dce17f-4
0.369
AAR-POS-d2a4d1df-35
0.369
HYO-UNK-49a60884-1
0.369
DAR-DIA-fb20be43-3
0.368
MAK-UNK-7c9d1431-21
0.368
MAK-UNK-af83ef51-1
0.367
DAV-CRI-d1e0885a-6
0.366
MAK-UNK-7c9d1431-20
0.365
MAK-UNK-7c9d1431-24
0.362
DRR-IMP-38dce17f-3
0.362
TAM-UNI-d1c3dd9f-6
0.361
MAK-UNK-cd94b63c-1
0.361
MAK-UNK-176ca439-3
0.361
MAK-UNK-7c9d1431-14
0.360
MAK-UNK-7c9d1431-29
0.358
MAK-UNK-72659d64-1
0.358
TAM-UNI-d1c3dd9f-17
0.358
MAK-UNK-ed378e62-24
0.357
DRR-IMP-38dce17f-5
0.357
MAK-UNK-af83ef51-20
0.355
MED-COV-4280ac29-24
0.354
MAK-UNK-af83ef51-27
0.349
MAK-UNK-af83ef51-29
0.349
JOK-SYG-18591e8f-1
0.348
DAV-CRI-d1e0885a-4
0.347
MAK-UNK-10dfa458-38
0.347
AAR-POS-0daf6b7e-13
0.345
LON-WEI-8f408cad-7
0.345
MAK-UNK-212f693e-8
0.345
MAK-UNK-72659d64-5
0.345
SAD-SAT-5b1897b2-2
0.345
DRR-IMP-38dce17f-2
0.345
SAD-SAT-5b1897b2-5
0.344
DAR-DIA-fb20be43-1
0.344
MAK-UNK-af83ef51-21
0.342
AAR-POS-0daf6b7e-2
0.341
DAR-DIA-fb20be43-5
0.340
JOH-UNI-27ac80fd-23
0.337
MAR-LAB-ca4662a6-2
0.337
AAR-POS-0daf6b7e-12
0.337
DAV-CRI-d1e0885a-5
0.337
DAR-DIA-fb20be43-6
0.337
JIA-UNI-93b03cae-1
0.333
SEL-UNI-cd366922-7
0.333
MED-COV-4280ac29-25
0.330
NAU-LAT-64f4b287-3
0.330