Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(C(=O)CCl)CC1 |
MW: | 216.07 |
Fraction sp3: | 0.56 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 40.62 |
cLogP: | 0.08 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-24
SAD-SAT-1b030f84-9
0.655
AAR-POS-0daf6b7e-21
0.543
MAK-UNK-987948f6-4
0.538
MAK-UNK-704ed37c-11
0.528
MAK-UNK-987948f6-5
0.526
SAD-SAT-1b030f84-8
0.500
MAK-UNK-6ca90168-18
0.475
MAK-UNK-704ed37c-12
0.475
MAK-UNK-6ca90168-17
0.475
SAD-SAT-5b1897b2-9
0.463
MAK-UNK-704ed37c-10
0.463
MAK-UNK-4b073b5c-16
0.457
MAK-UNK-95198336-3
0.455
SAD-SAT-6b5a89f0-9
0.455
SAD-SAT-b55127ae-1
0.453
VIK-SYN-bf9c9ac8-2
0.442
MAK-UNK-704ed37c-13
0.442
YOI-UNK-15f562e8-4
0.442
VIK-SYN-bf9c9ac8-1
0.442
SAD-SAT-d8079f6f-3
0.432
SAD-SAT-d8079f6f-5
0.432
VIK-SYN-9a3d118a-1
0.432
AHN-SAT-02ef6d10-7
0.429
MAK-UNK-52a1ef4b-1
0.422
SAD-SAT-d8079f6f-6
0.421
TOB-UNK-c2aba166-2
0.419
TOB-UNK-c2aba166-1
0.419
MAK-UNK-6ca90168-3
0.418
SAD-SAT-bc31ec01-2
0.410
MAK-UNK-f983951f-21
0.410
MAR-TRE-6a44bbf2-61
0.408
AAR-POS-d2a4d1df-29
0.408
WAR-XCH-b0339bbe-18
0.400
SAD-SAT-1b030f84-5
0.400
SAD-SAT-3a925b8b-1
0.400
SAD-SAT-d8079f6f-4
0.400
MAK-UNK-987948f6-2
0.396
DRR-IMP-db50bf6e-3
0.388
SAD-SAT-1f400d17-1
0.388
MAK-UNK-52a1ef4b-2
0.380
AAR-POS-d2a4d1df-25
0.380
DRR-IMP-db50bf6e-1
0.380
AHN-SAT-de2502ba-8
0.380
MAK-UNK-6ca90168-20
0.380
MAK-UNK-52a1ef4b-3
0.380
SAD-SAT-3a925b8b-5
0.380
SAD-SAT-1f400d17-6
0.380
SAD-SAT-3a925b8b-4
0.380
JOH-UNI-27ac80fd-25
0.373
ANT-OPE-d972fbad-1
0.373
AAR-POS-0daf6b7e-16
0.373
MAK-UNK-750cfbcc-1
0.372
MAK-UNK-6c8f5f75-1
0.372
MAK-UNK-6ca90168-4
0.370
MAR-TRE-6a44bbf2-87
0.367
DRR-IMP-38dce17f-3
0.367
MAK-UNK-7c9d1431-24
0.367
VIK-SYN-bf9c9ac8-7
0.367
VIK-SYN-9a3d118a-4
0.367
MAK-UNK-6ca90168-10
0.365
AHN-SAT-de2502ba-7
0.365
MAK-UNK-6ca90168-13
0.364
MAK-UNK-95198336-6
0.361
MAK-UNK-95198336-4
0.361
SAD-SAT-edc8a235-6
0.361
MAK-UNK-95198336-7
0.361
DRR-IMP-11d47bff-1
0.360
MAK-UNK-7c9d1431-29
0.360
MAT-POS-162a9720-4
0.360
SAD-SAT-5b1897b2-6
0.360
MAR-TRE-6a44bbf2-56
0.360
MAK-UNK-95198336-11
0.359
MAK-UNK-6ca90168-15
0.358
ASH-SAT-43770c7d-10
0.358
MED-COV-4280ac29-14
0.358
MAK-UNK-987948f6-3
0.358
SAD-SAT-bc31ec01-5
0.358
SAD-SAT-1b030f84-4
0.358
PAU-UNI-8cdd41c7-1
0.353
JOH-UNI-27ac80fd-26
0.353
SIM-SYN-f15aaa3a-1
0.353
SWA-SYN-6423ea73-5
0.353
SWA-SYN-d2e6fa14-5
0.353
DRR-IMP-38dce17f-6
0.353
MAK-UNK-6ca90168-21
0.353
NIM-UNI-310206f0-6
0.352
AHN-SAT-02ef6d10-6
0.352
DRR-IMP-dff87f5e-7
0.352
SAD-SAT-3a925b8b-9
0.352
SAD-SAT-581007d4-5
0.352
SAD-SAT-edc8a235-3
0.348
SAD-SAT-65574d3f-5
0.348
SAD-SAT-5b1897b2-10
0.346
SWA-SYN-6423ea73-1
0.345
SWA-SYN-d2e6fa14-1
0.345
AHN-SAT-de2502ba-14
0.345
SAD-SAT-b55127ae-4
0.345
SAD-SAT-3a925b8b-6
0.345
SAD-SAT-89668ff1-8
0.345
SAD-SAT-65574d3f-1
0.345