Molecular Properties | |
SMILES: | C=Cc1ccccc1C(=O)C(=O)N1CCN(C(=O)CCl)CC1 |
MW: | 320.09 |
Fraction sp3: | 0.31 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 57.69 |
cLogP: | 1.42 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
alpha_dicarbonyl
diketo group
α-Diketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Ketone
Oxalyl
phenylethene
AAR-POS-d2a4d1df-24
MAK-UNK-6ca90168-4
0.621
MAK-UNK-6ca90168-6
0.581
MAK-UNK-6ca90168-5
0.581
MAK-UNK-6ca90168-16
0.418
MAK-UNK-987948f6-4
0.404
MAK-UNK-987948f6-2
0.403
MAK-UNK-987948f6-5
0.393
SAD-SAT-1b030f84-9
0.388
AHN-SAT-de2502ba-7
0.379
MAR-TRE-6a44bbf2-61
0.369
AAR-POS-d2a4d1df-29
0.369
SIM-SYN-f15aaa3a-1
0.369
MAK-UNK-704ed37c-11
0.364
SAD-SAT-65574d3f-1
0.362
AHN-SAT-de2502ba-14
0.362
MAK-UNK-6ca90168-1
0.361
MAK-UNK-7c9d1431-24
0.359
DRR-IMP-38dce17f-3
0.359
MAK-UNK-7c9d1431-9
0.358
MAK-UNK-6ca90168-10
0.358
MAR-TRE-6a44bbf2-21
0.358
MAK-UNK-6ca90168-9
0.357
GIA-UNK-20b63697-7
0.357
MAK-UNK-6ca90168-15
0.353
AAR-POS-d2a4d1df-34
0.352
DRR-IMP-dff87f5e-5
0.352
MAR-TRE-6a44bbf2-8
0.352
AAR-POS-0daf6b7e-21
0.345
AAR-POS-0daf6b7e-16
0.343
SAD-SAT-5b1897b2-10
0.343
MAK-UNK-7c9d1431-20
0.343
SWA-SYN-d2e6fa14-1
0.343
MAK-UNK-7c9d1431-12
0.343
MAR-TRE-6a44bbf2-92
0.343
SWA-SYN-6423ea73-1
0.343
GIA-UNK-20b63697-1
0.342
STE-KUL-2e0d2e88-1
0.342
MAK-UNK-6ca90168-18
0.339
SAD-SAT-5b1897b2-3
0.338
BEN-DND-03406596-10
0.338
LON-WEI-8f408cad-4
0.338
AAR-POS-d2a4d1df-23
0.338
MAR-TRE-6a44bbf2-18
0.338
STE-KUL-2e0d2e88-2
0.338
DAR-DIA-fb20be43-2
0.333
SAD-SAT-1b030f84-4
0.333
DRR-IMP-38dce17f-5
0.333
MAK-UNK-7c9d1431-27
0.333
MAK-UNK-52a1ef4b-1
0.333
AAR-POS-d2a4d1df-37
0.333
MAR-TRE-6a44bbf2-7
0.333
DRR-IMP-db50bf6e-3
0.333
GIA-UNK-7337c2f3-10
0.333
MAK-UNK-987948f6-3
0.333
FAB-UNK-7ad5ab26-3
0.333
MAK-UNK-6ca90168-8
0.329
SEL-UNI-cd366922-2
0.329
MAK-UNK-af83ef51-2
0.329
DRR-IMP-db50bf6e-2
0.329
AAR-POS-d2a4d1df-25
0.328
AHN-SAT-de2502ba-8
0.328
MAK-UNK-6ca90168-20
0.328
SAD-SAT-3a925b8b-5
0.328
DRR-IMP-db50bf6e-1
0.328
MAK-UNK-6ca90168-7
0.325
AHN-SAT-de2502ba-1
0.325
GIA-UNK-7337c2f3-5
0.325
SWA-SYN-6423ea73-2
0.324
SWA-SYN-d2e6fa14-2
0.324
GIA-UNK-7337c2f3-1
0.324
MAK-UNK-7c9d1431-23
0.324
AAR-POS-d2a4d1df-24
0.324
MAR-TRE-6a44bbf2-28
0.324
MED-COV-4280ac29-6
0.324
SAD-SAT-1b030f84-5
0.324
JOH-UNI-27ac80fd-25
0.324
GIA-UNK-20b63697-3
0.321
GIA-UNK-7337c2f3-7
0.320
SEL-UNI-cd366922-5
0.320
GIA-UNK-7337c2f3-4
0.320
DRR-IMP-38dce17f-2
0.319
MAK-UNK-15efde89-1
0.319
DRR-IMP-38dce17f-1
0.319
AAR-POS-0daf6b7e-18
0.319
SAD-SAT-65574d3f-9
0.319
DRR-IMP-dff87f5e-4
0.319
VIK-SYN-bf9c9ac8-7
0.318
VIK-SYN-9a3d118a-4
0.318
MAR-TRE-6a44bbf2-87
0.318
MAK-UNK-6ca90168-17
0.317
MAK-UNK-704ed37c-12
0.317
GIA-UNK-7337c2f3-3
0.316
GIA-UNK-20b63697-6
0.316
GIA-UNK-7337c2f3-6
0.316
GIA-UNK-4de5abb1-1
0.316
AAR-POS-d2a4d1df-28
0.315
MAK-UNK-6ca90168-14
0.314
LON-WEI-8f408cad-5
0.314
MAK-UNK-6ca90168-11
0.314
DRR-IMP-38dce17f-7
0.314