Molecular Properties | |
SMILES: | CC1OC(CN2CCN(C(=O)CCl)CC2)C(O)C1OCCCNc1ccc(C#N)cn1 |
MW: | 451.955 |
Fraction sp3: | 0.67 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 110.95 |
cLogP: | 0.671680000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Aliphatic long chain
MAK-UNK-af83ef51-23
0.509
MAK-UNK-af83ef51-26
0.495
MAK-UNK-af83ef51-24
0.481
MAK-UNK-af83ef51-32
0.463
JAN-GHE-bf40f168-3
0.366
MAK-UNK-af83ef51-30
0.363
JAN-GHE-bf40f168-1
0.355
JAN-GHE-bf40f168-8
0.352
PAU-UNI-52c0427f-1
0.350
BRU-LEF-ae0885ba-1
0.350
DAR-DIA-fb20be43-4
0.350
JAN-GHE-bf40f168-7
0.347
MAK-UNK-6ca90168-14
0.344
DRR-IMP-38dce17f-7
0.344
DAR-DIA-fb20be43-17
0.342
VIK-SYN-9a3d118a-8
0.337
MAK-UNK-af83ef51-29
0.328
NIR-THE-0d6461ce-7
0.324
DAV-CRI-d1e0885a-2
0.324
DAR-DIA-fb20be43-16
0.322
TAM-UNI-d1c3dd9f-1
0.322
TAM-UNI-d1c3dd9f-17
0.321
DAV-CRI-d1e0885a-3
0.318
DAR-DIA-fb20be43-3
0.318
FAB-UNK-7ad5ab26-2
0.316
MAK-UNK-af83ef51-31
0.310
DAR-DIA-fb20be43-1
0.308
TAM-UNI-d1c3dd9f-18
0.308
MAK-UNK-849bee6c-2
0.308
MAT-POS-ee51dedd-1
0.307
DAR-DIA-fb20be43-5
0.306
MAK-UNK-af83ef51-28
0.304
PAU-WEI-f734c343-3
0.303
MAK-UNK-849bee6c-9
0.300
DAV-CRI-d1e0885a-4
0.299
MAK-UNK-849bee6c-12
0.298
SWA-SYN-d2e6fa14-7
0.297
SWA-SYN-6423ea73-7
0.297
MAR-TRE-6a44bbf2-29
0.297
DAR-DIA-fb20be43-18
0.297
AAR-POS-d2a4d1df-5
0.295
MAK-UNK-af83ef51-27
0.294
MED-COV-4280ac29-24
0.294
MAK-UNK-849bee6c-14
0.292
PET-SGC-cb83a00c-1
0.291
MAK-UNK-849bee6c-7
0.291
MAK-UNK-849bee6c-20
0.290
TAM-UNI-d1c3dd9f-16
0.290
DAV-CRI-d1e0885a-6
0.290
MAK-UNK-987948f6-3
0.289
NIR-THE-0d6461ce-6
0.288
MAK-UNK-849bee6c-22
0.287
MAR-LAB-ca4662a6-2
0.286
DRR-IMP-38dce17f-4
0.286
MAK-UNK-e4a48a85-24
0.284
PET-SGC-cb62ec31-1
0.284
MAK-UNK-849bee6c-15
0.283
FAB-UNK-2931f40a-1
0.281
BEN-VAN-77cef4f8-10
0.280
MAK-UNK-849bee6c-23
0.280
DAR-DIA-fb20be43-6
0.279
MAK-UNK-c97f7c8f-1
0.279
MED-COV-4280ac29-34
0.279
MAK-UNK-849bee6c-21
0.279
DAV-CRI-d1e0885a-5
0.278
DRR-IMP-dff87f5e-9
0.277
DAR-DIA-caba39e3-12
0.277
MAK-UNK-849bee6c-25
0.276
MAK-UNK-10dfa458-44
0.276
MAK-UNK-849bee6c-4
0.276
NIM-UNI-310206f0-21
0.276
DRR-IMP-38dce17f-5
0.276
MAK-UNK-849bee6c-13
0.275
MAK-UNK-849bee6c-3
0.275
MAK-UNK-10dfa458-40
0.274
MAK-UNK-c97f7c8f-2
0.274
BEN-VAN-77cef4f8-7
0.273
MAK-UNK-849bee6c-1
0.273
MED-COV-4280ac29-35
0.273
FAB-UNK-7ad5ab26-3
0.272
MAK-UNK-e4a48a85-19
0.271
DAV-CRI-d1e0885a-1
0.269
NIR-THE-b7e8e081-2
0.269
BEN-DND-6de5dfa0-16
0.269
MAK-UNK-af83ef51-20
0.268
PAU-WEI-f734c343-2
0.267
AAR-POS-d2a4d1df-37
0.267
MAR-TRE-6a44bbf2-7
0.267
MAK-UNK-849bee6c-8
0.267
SAD-SAT-f2e2579e-10
0.265
MAK-UNK-30aad1f1-3
0.265
AAR-POS-0daf6b7e-18
0.265
STU-CHA-6cae54d3-1
0.265
MAK-UNK-849bee6c-16
0.265
GIA-UNK-a79af1bc-1
0.265
MAR-TRE-6a44bbf2-77
0.265
SEL-UNI-cd366922-6
0.264
BOG-INS-bdba9cfb-1
0.264
MAK-UNK-e4a48a85-26
0.263
MAK-UNK-849bee6c-6
0.263