Molecular Properties | |
SMILES: | CC1CC(CN2CCN(C(=O)CCl)CC2)CC(NCCNc2ccc(C#N)cn2)C1 |
MW: | 433.0 |
Fraction sp3: | 0.68 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 84.29 |
cLogP: | 2.14258 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Aliphatic long chain
MAK-UNK-af83ef51-24
0.642
MAK-UNK-af83ef51-25
0.509
MAK-UNK-af83ef51-26
0.500
MAK-UNK-af83ef51-32
0.467
PAU-UNI-52c0427f-1
0.378
BRU-LEF-ae0885ba-1
0.378
DAR-DIA-fb20be43-4
0.378
NIR-THE-0d6461ce-7
0.363
DRR-IMP-38dce17f-7
0.360
MAK-UNK-6ca90168-14
0.360
VIK-SYN-9a3d118a-8
0.351
DAV-CRI-d1e0885a-2
0.350
MAT-POS-ee51dedd-1
0.347
TAM-UNI-d1c3dd9f-17
0.347
DAV-CRI-d1e0885a-3
0.343
DAR-DIA-fb20be43-3
0.343
MAK-UNK-849bee6c-7
0.340
MAK-UNK-849bee6c-14
0.340
MAK-UNK-af83ef51-30
0.339
MAK-UNK-849bee6c-9
0.337
MAK-UNK-849bee6c-12
0.333
JAN-GHE-bf40f168-3
0.333
TAM-UNI-d1c3dd9f-18
0.333
JAN-GHE-bf40f168-1
0.333
TAM-UNI-d1c3dd9f-16
0.327
NIR-THE-0d6461ce-6
0.324
DAV-CRI-d1e0885a-4
0.324
MAK-UNK-849bee6c-4
0.321
DAR-DIA-fb20be43-1
0.320
JAN-GHE-bf40f168-8
0.320
MAK-UNK-e4a48a85-24
0.318
DAR-DIA-fb20be43-5
0.317
MAK-UNK-af83ef51-27
0.316
FAB-UNK-7ad5ab26-2
0.316
MAK-UNK-987948f6-3
0.315
MED-COV-4280ac29-34
0.310
AAR-POS-d2a4d1df-5
0.310
SWA-SYN-6423ea73-7
0.309
SWA-SYN-d2e6fa14-7
0.309
MAK-UNK-849bee6c-16
0.309
MAK-UNK-af83ef51-31
0.309
MAK-UNK-10dfa458-44
0.308
DAR-DIA-fb20be43-17
0.307
MAK-UNK-849bee6c-2
0.307
MAK-UNK-af83ef51-19
0.306
MAK-UNK-af83ef51-29
0.305
MED-COV-4280ac29-24
0.305
MAK-UNK-849bee6c-15
0.304
JAN-GHE-bf40f168-7
0.304
MAK-UNK-af83ef51-28
0.303
AAR-POS-d2a4d1df-37
0.303
MAR-TRE-6a44bbf2-7
0.303
MAK-UNK-c97f7c8f-1
0.303
SAD-SAT-bc31ec01-10
0.303
DRR-IMP-dff87f5e-9
0.302
PAU-WEI-f734c343-3
0.302
DAV-CRI-d1e0885a-5
0.301
DAV-CRI-d1e0885a-6
0.301
MAK-UNK-849bee6c-21
0.299
DAR-DIA-fb20be43-16
0.298
TAM-UNI-d1c3dd9f-1
0.298
MAK-UNK-10dfa458-40
0.297
MAK-UNK-c97f7c8f-2
0.297
MAK-UNK-849bee6c-22
0.297
MAK-UNK-849bee6c-3
0.296
MAK-UNK-849bee6c-13
0.296
MED-COV-4280ac29-35
0.295
NIM-UNI-310206f0-21
0.295
MAK-UNK-10dfa458-45
0.293
BEN-VAN-77cef4f8-7
0.293
BEN-VAN-77cef4f8-8
0.293
DAR-DIA-fb20be43-6
0.290
MAK-UNK-849bee6c-20
0.289
MAK-UNK-849bee6c-23
0.289
BEN-VAN-77cef4f8-10
0.289
BEN-VAN-77cef4f8-11
0.289
SAD-SAT-f2e2579e-4
0.288
DRR-IMP-38dce17f-5
0.287
MAK-UNK-30aad1f1-3
0.287
SAD-SAT-f2e2579e-10
0.287
MAK-UNK-849bee6c-8
0.287
TAT-ENA-80bfd3e5-10
0.286
DAR-DIA-3e9bbd81-11
0.286
MAK-UNK-849bee6c-25
0.286
DRR-IMP-38dce17f-4
0.284
MAK-UNK-849bee6c-5
0.283
MAK-UNK-849bee6c-6
0.283
DRR-IMP-38dce17f-6
0.283
MAK-UNK-10dfa458-43
0.282
MAK-UNK-849bee6c-1
0.282
SAD-SAT-5b1897b2-8
0.281
AAR-POS-d2a4d1df-24
0.281
MAK-UNK-176ca439-4
0.281
MAK-UNK-30aad1f1-6
0.281
MAK-UNK-3c359d2a-1
0.281
MAK-UNK-e4a48a85-2
0.280
NIR-THE-0d6461ce-1
0.280
DAV-CRI-d1e0885a-1
0.280
FAB-UNK-2931f40a-1
0.280
MAK-UNK-af83ef51-22
0.280