Molecular Properties | |
SMILES: | Cc1cc(C(=O)CCl)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 |
MW: | 396.09 |
Fraction sp3: | 0.39 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 68.61 |
cLogP: | 2.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-05726 |
Enamine SCR: | Z56911906 |
Mcule: | MCULE-8812972339 |
MolPort: | MolPort-002-464-603 |
Filter64_halo_ketone_sulfone
Ketone
Dye 22
Hetero_hetero
MAR-TRE-6a44bbf2-100
0.444
AHN-SAT-de2502ba-4
0.444
AHN-SAT-de2502ba-9
0.427
AHN-SAT-de2502ba-16
0.398
TAT-ENA-80bfd3e5-24
0.388
MAR-TRE-6a44bbf2-63
0.364
KEI-TRE-d5e2018a-22
0.355
KEI-TRE-d5e2018a-13
0.354
KEI-TRE-d5e2018a-10
0.351
MAR-TRE-799db12b-34
0.348
BEN-DND-03406596-10
0.341
AAR-POS-d2a4d1df-23
0.341
MAR-TRE-6a44bbf2-18
0.341
LON-WEI-8f408cad-4
0.341
MAR-TRE-6a44bbf2-83
0.341
AHN-SAT-de2502ba-13
0.341
KEI-TRE-d5e2018a-9
0.340
TAT-ENA-80bfd3e5-43
0.337
MAK-UNK-7c9d1431-11
0.337
MAR-TRE-6a44bbf2-65
0.337
MAK-UNK-69bf97dd-5
0.333
DRR-IMP-dff87f5e-8
0.333
MAR-TRE-8190bb11-100
0.330
PEI-IMP-ca0b2813-3
0.330
AHN-SAT-de2502ba-6
0.326
MAR-TRE-6a44bbf2-43
0.326
DAN-MCD-50ec7d1f-1
0.325
BEN-DND-76ad4ac9-6
0.325
KEN-MCD-6084b33e-1
0.322
AHN-SAT-de2502ba-5
0.318
KEI-TRE-d5e2018a-53
0.317
KEI-TRE-d5e2018a-61
0.316
MAR-TRE-4f781e27-67
0.316
MAR-TRE-6a44bbf2-42
0.315
MAK-UNK-7c9d1431-4
0.315
SAD-SAT-65574d3f-8
0.315
IND-SYN-6c8299e8-2
0.315
MAK-UNK-7c9d1431-3
0.315
TAT-ENA-80bfd3e5-25
0.315
BEN-DND-03406596-3
0.315
BEN-DND-76ad4ac9-14
0.315
DRR-IMP-dff87f5e-2
0.315
AHN-SAT-de2502ba-12
0.315
MAR-TRE-6a44bbf2-20
0.315
SAD-SAT-9a6c5cf3-1
0.311
MAK-UNK-6435e6c2-5
0.309
MAR-TRE-67513f76-51
0.306
MAK-UNK-7c9d1431-8
0.306
MAR-TRE-6a44bbf2-26
0.306
AHN-SAT-de2502ba-10
0.303
ANT-OPE-7824651a-2
0.302
MAR-TRE-6a44bbf2-32
0.302
ABB-MCD-f8003a30-1
0.302
MAR-TRE-fd17a9b8-62
0.302
MAR-TRE-2fd8122f-55
0.298
KEI-TRE-d5e2018a-32
0.298
MAR-TRE-3e4e6814-34
0.298
IND-SYN-6c8299e8-9
0.297
DAN-MCD-5c762fbe-1
0.294
MAK-UNK-7c9d1431-19
0.292
MAR-TRE-a9136c7b-65
0.292
MAK-UNK-10dfa458-29
0.291
MAK-UNK-7c9d1431-10
0.287
MAR-TRE-6a44bbf2-36
0.287
MAK-UNK-7c9d1431-2
0.287
SAD-SAT-f0a2747f-5
0.286
AHN-SAT-de2502ba-19
0.284
MAR-TRE-2fd8122f-15
0.283
KEI-TRE-d5e2018a-52
0.283
MAC-MCD-4707377b-1
0.283
MAK-UNK-7c9d1431-7
0.283
MAR-TRE-6a44bbf2-49
0.283
JAY-UNK-11f5bdbd-1
0.282
MAR-TRE-c317dd82-22
0.282
GIA-UNK-eaadd1d4-3
0.281
MAR-TRE-6a44bbf2-38
0.280
ANT-OPE-7824651a-1
0.280
MAK-UNK-7c9d1431-1
0.280
BEN-DND-03ad4429-3
0.279
MAK-UNK-10dfa458-5
0.279
AHN-SAT-de2502ba-17
0.278
AHN-SAT-de2502ba-18
0.278
MAR-TRE-6a44bbf2-21
0.277
MAK-UNK-7c9d1431-9
0.277
MAR-TRE-6a44bbf2-22
0.277
MAK-UNK-7c9d1431-26
0.277
PEI-IMP-ca0b2813-1
0.276
SAD-SAT-2ceae68f-1
0.273
MAK-UNK-69bf97dd-1
0.272
MAR-TRE-2fd8122f-35
0.271
BEN-DND-03ad4429-4
0.271
MAR-LAB-efb042c5-5
0.271
MAR-TRE-6a44bbf2-68
0.271
AAR-POS-d2a4d1df-27
0.271
MAK-UNK-69bf97dd-6
0.269
MAK-UNK-7c9d1431-5
0.269
MAR-TRE-6a44bbf2-31
0.269
MAK-UNK-c74072e5-9
0.265
MAR-TRE-3e4e6814-92
0.265
MAR-TRE-a9136c7b-16
0.264