Molecular Properties | |
SMILES: | CS1=NC(CC(=O)N2CCN(C(=O)CCl)CC2)C=C1 |
MW: | 303.08 |
Fraction sp3: | 0.67 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 52.98 |
cLogP: | 0.61 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
SAD-SAT-1b030f84-9
0.442
AAR-POS-0daf6b7e-21
0.417
MAK-UNK-987948f6-5
0.412
MAK-UNK-6ca90168-18
0.404
MAK-UNK-704ed37c-12
0.404
MAK-UNK-987948f6-4
0.396
MAK-UNK-704ed37c-11
0.380
MAK-UNK-6ca90168-17
0.377
MAK-UNK-6ca90168-4
0.375
SAD-SAT-5b1897b2-9
0.370
SAD-SAT-3a925b8b-4
0.361
MAK-UNK-6ca90168-16
0.358
VIK-SYN-bf9c9ac8-1
0.357
VIK-SYN-bf9c9ac8-2
0.357
YOI-UNK-15f562e8-4
0.357
WAR-XCH-b0339bbe-18
0.351
VIK-SYN-9a3d118a-1
0.351
MAK-UNK-6ca90168-10
0.349
MAK-UNK-95198336-3
0.348
SAD-SAT-d8079f6f-4
0.346
SAD-SAT-1b030f84-8
0.345
MAK-UNK-704ed37c-10
0.345
MAK-UNK-52a1ef4b-1
0.345
ASH-SAT-43770c7d-10
0.344
TOB-UNK-c2aba166-1
0.339
SAD-SAT-3a925b8b-5
0.339
MAK-UNK-6ca90168-20
0.339
AAR-POS-d2a4d1df-25
0.339
AHN-SAT-de2502ba-8
0.339
MAK-UNK-52a1ef4b-2
0.339
MAK-UNK-704ed37c-13
0.333
AAR-POS-0daf6b7e-16
0.333
JOH-UNI-27ac80fd-25
0.333
MAK-UNK-6ca90168-5
0.333
MAK-UNK-6ca90168-6
0.333
MAK-UNK-6ca90168-3
0.333
SAD-SAT-5b1897b2-2
0.328
AAR-POS-0daf6b7e-13
0.328
AAR-POS-0daf6b7e-18
0.328
LON-WEI-8f408cad-7
0.328
MAK-UNK-212f693e-8
0.328
VIK-SYN-bf9c9ac8-7
0.328
MAK-UNK-987948f6-2
0.328
MAR-TRE-6a44bbf2-87
0.328
VIK-SYN-9a3d118a-4
0.328
MAK-UNK-750cfbcc-1
0.327
MAK-UNK-6c8f5f75-1
0.327
SAD-SAT-bc31ec01-2
0.327
MAK-UNK-f983951f-21
0.327
MAK-UNK-4b073b5c-16
0.327
GIA-UNK-a79af1bc-1
0.324
MAK-UNK-6ca90168-14
0.323
DRR-IMP-38dce17f-7
0.323
MAK-UNK-987948f6-3
0.323
MAK-UNK-6ca90168-15
0.323
DRR-IMP-db50bf6e-3
0.323
DRR-IMP-11d47bff-1
0.323
SAD-SAT-5b1897b2-6
0.323
DRR-IMP-db50bf6e-1
0.317
MAK-UNK-52a1ef4b-3
0.317
SWA-SYN-d2e6fa14-5
0.317
SWA-SYN-6423ea73-5
0.317
DRR-IMP-38dce17f-6
0.317
AAR-POS-d2a4d1df-29
0.317
MAR-TRE-6a44bbf2-61
0.317
MAK-UNK-6ca90168-7
0.315
SAD-SAT-d8079f6f-3
0.314
SAD-SAT-d8079f6f-5
0.314
SAD-SAT-89668ff1-8
0.313
SAD-SAT-3a925b8b-3
0.313
SAD-SAT-5b1897b2-8
0.313
MAK-UNK-7c9d1431-20
0.313
MAK-UNK-d4768348-5
0.313
SAD-SAT-3a925b8b-1
0.312
SAD-SAT-1b030f84-5
0.312
NIR-THE-0d6461ce-9
0.310
KAT-MCD-525c981a-1
0.309
KAT-UNK-48001bce-1
0.309
MAK-UNK-212f693e-13
0.309
MAK-UNK-6ca90168-9
0.309
MAK-UNK-d4768348-7
0.309
AHN-SAT-de2502ba-7
0.308
SAD-SAT-5b1897b2-3
0.308
SAD-SAT-5b1897b2-1
0.308
MAK-UNK-7c9d1431-9
0.308
MAR-TRE-6a44bbf2-21
0.308
SAD-SAT-d8079f6f-6
0.308
SAD-SAT-65574d3f-9
0.308
DRR-IMP-38dce17f-3
0.306
MAK-UNK-7c9d1431-24
0.306
MAK-UNK-750cfbcc-2
0.305
VIK-SYN-bf9c9ac8-6
0.304
MAR-TRE-6a44bbf2-77
0.304
VIK-SYN-9a3d118a-2
0.304
SAD-SAT-5b1897b2-4
0.303
MAK-UNK-e4a48a85-14
0.303
DRR-IMP-38dce17f-5
0.303
LON-WEI-8f408cad-5
0.303
SAD-SAT-bc31ec01-1
0.303
AAR-POS-0daf6b7e-17
0.303