Molecular Properties | |
SMILES: | CCNc1cnc(C#N)nc1Nc1cc(C)cc(CN2CCN(C(=O)CCl)CC2)c1 |
MW: | 427.19 |
Fraction sp3: | 0.43 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 97.18 |
cLogP: | 2.72 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-849bee6c-26
0.784
MAK-UNK-849bee6c-22
0.628
MAK-UNK-849bee6c-20
0.608
MAK-UNK-849bee6c-2
0.602
MAK-UNK-849bee6c-21
0.583
MAK-UNK-af83ef51-22
0.573
MAK-UNK-849bee6c-25
0.561
MAK-UNK-849bee6c-1
0.546
MAK-UNK-849bee6c-18
0.542
MAK-UNK-849bee6c-19
0.536
MAK-UNK-10dfa458-43
0.531
MAK-UNK-849bee6c-24
0.510
MAK-UNK-10dfa458-19
0.505
MAK-UNK-10dfa458-13
0.457
MAK-UNK-10dfa458-44
0.457
MAK-UNK-849bee6c-4
0.440
BRU-LEF-ae0885ba-1
0.436
PAU-UNI-52c0427f-1
0.436
DAR-DIA-fb20be43-4
0.436
DAV-CRI-d1e0885a-2
0.433
SAD-SAT-581007d4-2
0.430
TAM-UNI-d1c3dd9f-16
0.426
MAK-UNK-849bee6c-3
0.419
DAR-DIA-fb20be43-3
0.412
MAK-UNK-849bee6c-7
0.408
DAV-CRI-d1e0885a-4
0.406
SAD-SAT-581007d4-4
0.402
DAR-DIA-fb20be43-1
0.402
MAK-UNK-af83ef51-17
0.402
MED-COV-4280ac29-24
0.398
DAR-DIA-fb20be43-5
0.398
MAK-UNK-849bee6c-6
0.394
MAK-UNK-849bee6c-14
0.392
MAK-UNK-849bee6c-9
0.390
MAK-UNK-849bee6c-15
0.389
DAV-CRI-d1e0885a-3
0.384
MAK-UNK-af83ef51-27
0.376
MED-COV-4280ac29-35
0.374
PAU-UNI-8cdd41c7-1
0.372
MAK-UNK-849bee6c-12
0.371
MAK-UNK-849bee6c-16
0.371
MAK-UNK-849bee6c-8
0.370
SEL-UNI-cd366922-6
0.368
MAK-UNK-849bee6c-13
0.367
MAK-UNK-849bee6c-17
0.367
TAM-UNI-d1c3dd9f-18
0.360
DRR-IMP-38dce17f-7
0.360
MAK-UNK-6ca90168-14
0.360
MED-COV-4280ac29-33
0.358
DRR-IMP-38dce17f-4
0.356
MAK-UNK-849bee6c-5
0.355
DAV-CRI-d1e0885a-6
0.354
MAT-POS-2db6411e-2
0.352
SAD-SAT-581007d4-1
0.352
AAR-POS-d2a4d1df-24
0.352
SAD-SAT-581007d4-7
0.352
NIR-THE-0d6461ce-7
0.350
MAT-POS-ee51dedd-1
0.347
MAK-UNK-af83ef51-21
0.345
SAD-SAT-581007d4-3
0.344
DRR-IMP-38dce17f-6
0.341
MAK-UNK-af83ef51-1
0.340
DAV-CRI-d1e0885a-5
0.340
FAB-UNK-7ad5ab26-2
0.339
MAK-UNK-af83ef51-29
0.339
JAN-GHE-fd8d85a5-1
0.337
NIR-THE-0d6461ce-6
0.337
MAK-UNK-af83ef51-20
0.333
DAV-CRI-d1e0885a-1
0.333
MAK-UNK-72659d64-9
0.330
DAR-DIA-fb20be43-6
0.327
HYO-UNK-49a60884-1
0.326
MED-COV-4280ac29-15
0.326
JOH-UNI-0e1753c1-3
0.326
AAR-POS-d2a4d1df-35
0.326
MAK-UNK-af83ef51-28
0.325
PAU-WEI-f734c343-3
0.325
MAK-UNK-7c9d1431-20
0.323
MED-COV-4280ac29-34
0.322
MAK-UNK-e4a48a85-27
0.322
TAM-UNI-d1c3dd9f-17
0.320
MED-COV-4280ac29-25
0.320
MAK-UNK-7c9d1431-18
0.320
SAD-SAT-5b1897b2-2
0.319
DAR-DIA-fb20be43-17
0.319
MAK-UNK-e4a48a85-23
0.318
DRR-IMP-38dce17f-3
0.318
MAK-UNK-7c9d1431-24
0.318
MAK-UNK-af83ef51-19
0.317
SAD-SAT-bc31ec01-1
0.315
DRR-IMP-38dce17f-5
0.315
MAK-UNK-7c9d1431-29
0.315
JAN-GHE-fd8d85a5-6
0.314
NIM-UNI-310206f0-5
0.314
MED-COV-4280ac29-1
0.314
MAK-UNK-7c9d1431-21
0.312
MAK-UNK-e4a48a85-21
0.311
TAM-UNI-d1c3dd9f-6
0.311
MAK-UNK-af83ef51-33
0.310
JOK-SYG-18591e8f-1
0.309