Molecular Properties | |
SMILES: | Cc1ccccc1C(=O)C(=O)N1CCN(C(=O)CCl)CC1 |
MW: | 308.09 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.09 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
alpha_dicarbonyl
diketo group
α-Diketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Ketone
Oxalyl
AAR-POS-d2a4d1df-24
MAK-UNK-6ca90168-3
0.621
MAK-UNK-6ca90168-6
0.593
MAK-UNK-6ca90168-5
0.593
MAK-UNK-6ca90168-10
0.500
MAK-UNK-7c9d1431-20
0.475
MAK-UNK-987948f6-5
0.451
MAK-UNK-987948f6-4
0.434
SAD-SAT-1b030f84-9
0.422
TAT-ENA-80bfd3e5-20
0.412
AAR-POS-d2a4d1df-41
0.412
MAK-UNK-987948f6-2
0.407
AAR-POS-d2a4d1df-24
0.406
AAR-POS-0daf6b7e-21
0.400
GIA-UNK-7337c2f3-9
0.400
SAD-SAT-5b1897b2-4
0.397
ASH-SAT-43770c7d-10
0.397
AAR-POS-d2a4d1df-25
0.393
AHN-SAT-de2502ba-8
0.393
MAK-UNK-704ed37c-11
0.392
DRR-IMP-38dce17f-3
0.383
MAK-UNK-7c9d1431-24
0.383
MAK-UNK-6ca90168-1
0.382
MAK-UNK-7c9d1431-9
0.381
AHN-SAT-de2502ba-7
0.381
MAR-TRE-6a44bbf2-21
0.381
TAT-ENA-80bfd3e5-30
0.377
SAD-SAT-1b030f84-4
0.375
MAR-TRE-6a44bbf2-61
0.371
AAR-POS-d2a4d1df-29
0.371
SIM-SYN-f15aaa3a-1
0.371
MAK-UNK-6ca90168-16
0.370
MAR-LAB-ca4662a6-2
0.369
MAK-UNK-af83ef51-2
0.368
AAR-POS-0daf6b7e-16
0.365
SAD-SAT-5b1897b2-10
0.365
SWA-SYN-d2e6fa14-1
0.364
MAK-UNK-7c9d1431-12
0.364
SWA-SYN-6423ea73-1
0.364
SAD-SAT-65574d3f-1
0.364
AHN-SAT-de2502ba-14
0.364
MAK-UNK-6ca90168-18
0.364
MAK-UNK-704ed37c-12
0.364
GIA-UNK-7337c2f3-8
0.361
VIK-SYN-9a3d118a-4
0.361
MAR-TRE-6a44bbf2-87
0.361
VIK-SYN-bf9c9ac8-7
0.361
AAR-POS-0daf6b7e-18
0.359
SAD-SAT-65574d3f-9
0.359
SAD-SAT-5b1897b2-3
0.359
MAK-UNK-6ca90168-9
0.358
NIR-THE-0d6461ce-1
0.357
GIA-UNK-7337c2f3-7
0.357
MAK-UNK-52a1ef4b-1
0.356
STE-KUL-2e0d2e88-2
0.355
DRR-IMP-db50bf6e-3
0.355
DRR-IMP-38dce17f-5
0.354
MAK-UNK-987948f6-3
0.354
MAK-UNK-6ca90168-15
0.354
MAR-TRE-6a44bbf2-26
0.353
MAK-UNK-7c9d1431-27
0.353
MAK-UNK-7c9d1431-8
0.353
DRR-IMP-dff87f5e-5
0.353
MAR-TRE-6a44bbf2-8
0.353
AAR-POS-d2a4d1df-34
0.353
MAK-UNK-6ca90168-20
0.349
DRR-IMP-db50bf6e-1
0.349
SAD-SAT-3a925b8b-5
0.349
MAR-TRE-6a44bbf2-68
0.348
MAR-LAB-efb042c5-5
0.348
AAR-POS-d2a4d1df-27
0.348
DRR-IMP-db50bf6e-2
0.348
VIK-SYN-bf9c9ac8-1
0.345
VIK-SYN-bf9c9ac8-2
0.345
YOI-UNK-15f562e8-4
0.345
SAD-SAT-1b030f84-5
0.344
JOH-UNI-27ac80fd-25
0.344
MAR-TRE-6a44bbf2-92
0.343
MAK-UNK-7c9d1431-23
0.343
MAR-TRE-6a44bbf2-28
0.343
SAD-SAT-89668ff1-8
0.343
MAR-TRE-6a44bbf2-13
0.343
SWA-SYN-6423ea73-2
0.343
AAR-POS-0daf6b7e-3
0.343
WAR-XCH-79d12f6e-6
0.343
SWA-SYN-d2e6fa14-2
0.343
AAR-POS-d2a4d1df-36
0.343
MAK-UNK-af83ef51-6
0.343
STE-KUL-2e0d2e88-1
0.343
RHE-UNK-eb059eb9-1
0.343
MAK-UNK-6ca90168-7
0.342
STE-UNK-13e151dd-1
0.342
MAK-UNK-6ca90168-17
0.339
VIK-SYN-9a3d118a-1
0.339
DRR-IMP-38dce17f-1
0.338
AAR-POS-0daf6b7e-13
0.338
MAK-UNK-212f693e-8
0.338
LON-WEI-8f408cad-7
0.338
DRR-IMP-dff87f5e-4
0.338
MAK-UNK-15efde89-1
0.338
GIA-UNK-20b63697-7
0.338