Molecular Properties | |
SMILES: | Cc1cc(CN2CCN(C(=O)CCl)CC2)cc(Nc2ccc(NC(=O)CCl)cc2C#N)c1 |
MW: | 473.14 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 88.47 |
cLogP: | 3.67 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-849bee6c-18
0.787
MAK-UNK-10dfa458-43
0.768
MAK-UNK-af83ef51-22
0.759
MAK-UNK-849bee6c-19
0.714
MAK-UNK-849bee6c-1
0.611
MAK-UNK-10dfa458-13
0.591
MAK-UNK-10dfa458-44
0.591
MAK-UNK-849bee6c-25
0.574
MAK-UNK-849bee6c-20
0.573
MAK-UNK-849bee6c-26
0.567
MAK-UNK-10dfa458-19
0.564
MAK-UNK-849bee6c-2
0.548
MAK-UNK-849bee6c-21
0.515
MAK-UNK-849bee6c-22
0.510
MAK-UNK-849bee6c-23
0.510
TAM-UNI-d1c3dd9f-16
0.466
SAD-SAT-581007d4-2
0.439
MAK-UNK-af83ef51-17
0.422
DRR-IMP-38dce17f-7
0.415
MAK-UNK-6ca90168-14
0.415
SAD-SAT-581007d4-4
0.409
TAM-UNI-d1c3dd9f-18
0.409
DAV-CRI-d1e0885a-6
0.402
MAK-UNK-849bee6c-4
0.390
DAR-DIA-fb20be43-3
0.389
MED-COV-4280ac29-24
0.389
AAR-POS-d2a4d1df-24
0.388
DAV-CRI-d1e0885a-4
0.383
DAV-CRI-d1e0885a-1
0.382
MAT-POS-ee51dedd-1
0.382
MAR-TRE-6a44bbf2-12
0.379
PAU-UNI-8cdd41c7-1
0.378
DRR-IMP-38dce17f-6
0.378
DAV-CRI-d1e0885a-5
0.372
MAK-UNK-849bee6c-3
0.371
DAV-CRI-d1e0885a-2
0.367
MED-COV-4280ac29-33
0.363
DAV-CRI-d1e0885a-3
0.361
MAK-UNK-849bee6c-5
0.359
MAK-UNK-849bee6c-7
0.357
MAK-UNK-7c9d1431-20
0.356
SAD-SAT-581007d4-1
0.356
SAD-SAT-581007d4-7
0.356
MAT-POS-2db6411e-2
0.356
JOK-SYG-18591e8f-1
0.356
MAK-UNK-849bee6c-15
0.355
MAK-UNK-7c9d1431-24
0.354
DRR-IMP-38dce17f-3
0.354
AAR-POS-0daf6b7e-13
0.353
MAK-UNK-212f693e-8
0.353
LON-WEI-8f408cad-7
0.353
TAM-UNI-d1c3dd9f-17
0.351
MED-COV-4280ac29-35
0.351
MAK-UNK-7c9d1431-29
0.349
MAK-UNK-af83ef51-21
0.348
SAD-SAT-581007d4-3
0.348
MAK-UNK-849bee6c-6
0.346
AAR-POS-0daf6b7e-12
0.345
MAR-LAB-ca4662a6-2
0.345
DRR-IMP-38dce17f-4
0.345
HYO-UNK-49a60884-1
0.345
AAR-POS-d2a4d1df-35
0.345
JOH-UNI-27ac80fd-23
0.345
JOH-UNI-0e1753c1-3
0.345
MED-COV-4280ac29-15
0.345
MAK-UNK-7c9d1431-21
0.344
MAK-UNK-849bee6c-14
0.343
FAB-UNK-7ad5ab26-2
0.343
MAR-TRE-6a44bbf2-47
0.341
DAR-DIA-fb20be43-4
0.340
BRU-LEF-ae0885ba-1
0.340
PAU-UNI-52c0427f-1
0.340
MAK-UNK-849bee6c-9
0.340
MAK-UNK-10dfa458-38
0.340
DRR-IMP-38dce17f-2
0.337
MAK-UNK-7c9d1431-14
0.337
SAD-SAT-5b1897b2-5
0.337
NEH-REV-107bcf72-3
0.337
MAK-UNK-849bee6c-12
0.337
MAK-UNK-af83ef51-20
0.336
MAK-UNK-e4a48a85-18
0.333
BEN-DND-6de5dfa0-16
0.333
AAR-POS-0daf6b7e-17
0.333
MAK-UNK-af83ef51-33
0.333
LON-WEI-8f408cad-5
0.333
AAR-POS-0daf6b7e-2
0.333
NIR-THE-b7e8e081-2
0.333
MAK-UNK-af83ef51-27
0.330
MAK-UNK-af83ef51-1
0.330
SEL-UNI-cd366922-6
0.330
MAK-UNK-cd94b63c-1
0.327
MAK-UNK-176ca439-3
0.327
STE-UNK-13e151dd-1
0.327
JIA-UNI-93b03cae-1
0.326
MAK-UNK-849bee6c-8
0.324
MAK-UNK-849bee6c-16
0.324
MAK-UNK-7c9d1431-18
0.323
JOH-UNI-27ac80fd-38
0.323
MAR-TRE-6a44bbf2-3
0.323
MAK-UNK-7c9d1431-16
0.323