Molecular Properties | |
SMILES: | COC1CN(C(=O)CCNc2ccc(C#N)cn2)CC1CN1CCN(C(=O)CCl)CC1 |
MW: | 448.955 |
Fraction sp3: | 0.62 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 101.8 |
cLogP: | 0.611680000000002 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-af83ef51-23
0.500
MAK-UNK-af83ef51-25
0.495
MAK-UNK-af83ef51-24
0.472
MAK-UNK-af83ef51-32
0.467
BRU-LEF-ae0885ba-1
0.378
PAU-UNI-52c0427f-1
0.378
DAR-DIA-fb20be43-4
0.378
TAM-UNI-d1c3dd9f-17
0.360
MAK-UNK-6ca90168-14
0.360
DRR-IMP-38dce17f-7
0.360
VIK-SYN-9a3d118a-8
0.351
NIR-THE-0d6461ce-7
0.350
MAK-UNK-e4a48a85-24
0.343
DAV-CRI-d1e0885a-2
0.337
JAN-GHE-bf40f168-3
0.333
DAR-DIA-fb20be43-3
0.330
DAV-CRI-d1e0885a-3
0.330
MAK-UNK-849bee6c-14
0.327
PAU-WEI-f734c343-3
0.325
DAV-CRI-d1e0885a-4
0.324
JAN-GHE-bf40f168-1
0.322
MAK-UNK-af83ef51-31
0.321
TAM-UNI-d1c3dd9f-18
0.320
JAN-GHE-bf40f168-8
0.320
MAT-POS-ee51dedd-1
0.320
DAV-CRI-d1e0885a-1
0.320
DAR-DIA-fb20be43-5
0.317
MAK-UNK-af83ef51-27
0.316
MAK-UNK-af83ef51-30
0.316
JAN-GHE-bf40f168-7
0.315
NIR-THE-0d6461ce-6
0.311
AAR-POS-d2a4d1df-5
0.310
MAK-UNK-849bee6c-12
0.309
DAR-DIA-fb20be43-17
0.307
MAK-UNK-af83ef51-29
0.305
FAB-UNK-7ad5ab26-2
0.304
MAK-UNK-af83ef51-28
0.303
MAK-UNK-c97f7c8f-1
0.303
MAR-TRE-6a44bbf2-77
0.302
FAB-UNK-2931f40a-1
0.302
MAK-UNK-987948f6-3
0.301
DAV-CRI-d1e0885a-5
0.301
DAV-CRI-d1e0885a-6
0.301
TAM-UNI-d1c3dd9f-16
0.301
MED-COV-4280ac29-34
0.299
MAK-UNK-849bee6c-9
0.299
MAK-UNK-30aad1f1-3
0.299
TAM-UNI-d1c3dd9f-1
0.298
DAR-DIA-fb20be43-16
0.298
DRR-IMP-38dce17f-4
0.298
MAK-UNK-849bee6c-4
0.297
SWA-SYN-d2e6fa14-7
0.296
SWA-SYN-6423ea73-7
0.296
PET-SGC-cb62ec31-1
0.296
MAK-UNK-849bee6c-2
0.296
DAR-DIA-fb20be43-1
0.295
MAK-UNK-849bee6c-1
0.293
MED-COV-4280ac29-24
0.292
MAK-UNK-849bee6c-7
0.290
PAU-WEI-b9b69149-6
0.289
MAK-UNK-849bee6c-20
0.289
MAR-TRE-6a44bbf2-12
0.289
DRR-IMP-dff87f5e-9
0.289
MAK-UNK-af83ef51-20
0.288
DRR-IMP-38dce17f-5
0.287
MAK-UNK-752736de-11
0.287
MAK-UNK-849bee6c-16
0.286
MAK-UNK-849bee6c-22
0.286
MAK-UNK-af83ef51-19
0.285
MAK-UNK-849bee6c-13
0.284
MAK-UNK-849bee6c-3
0.284
JOH-UNI-27ac80fd-39
0.283
MED-COV-4280ac29-35
0.283
MAK-UNK-849bee6c-15
0.282
MAK-UNK-10dfa458-43
0.282
MAK-UNK-10dfa458-45
0.282
FAB-UNK-7ad5ab26-3
0.282
STE-KUL-2e0d2e88-3
0.282
MAR-TRE-6a44bbf2-92
0.281
MAK-UNK-30aad1f1-6
0.281
MAK-UNK-3c359d2a-1
0.281
MAK-UNK-30aad1f1-1
0.281
MAK-UNK-176ca439-4
0.281
MAK-UNK-30aad1f1-7
0.279
ANT-STE-dbb91f63-2
0.279
BEN-DND-6de5dfa0-16
0.279
NIR-THE-b7e8e081-2
0.279
WAR-XCH-b0339bbe-16
0.278
DAR-DIA-fb20be43-6
0.278
MAK-UNK-849bee6c-21
0.277
AAR-POS-d2a4d1df-37
0.277
MAR-TRE-6a44bbf2-7
0.277
MED-COV-4280ac29-37
0.276
SAD-SAT-f2e2579e-10
0.275
MAK-UNK-10dfa458-44
0.275
MAK-UNK-849bee6c-25
0.275
MAK-UNK-752736de-7
0.275
AAR-POS-0daf6b7e-17
0.274
LON-WEI-8f408cad-5
0.274
MAK-UNK-30aad1f1-4
0.272