Molecular Properties | |
SMILES: | O=C(CCl)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 |
MW: | 337.04 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 54.45 |
cLogP: | 2.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Ketones
Filter64_halo_ketone_sulfone
aliphatic ketone not ring and not di-carbonyl
Ketone
Hetero_hetero
AAR-POS-d2a4d1df-1
AAR-POS-d2a4d1df-32
0.607
LON-WEI-8f408cad-2
0.607
MAR-TRE-6a44bbf2-4
0.607
BEN-DND-76ad4ac9-6
0.569
JAG-SYN-9c2cd0bd-11
0.544
BEN-DND-03406596-2
0.540
BEN-DND-76ad4ac9-12
0.540
MAK-UNK-6435e6c2-6
0.518
JAG-SYN-9c2cd0bd-15
0.508
BEN-DND-76ad4ac9-1
0.500
JAG-SYN-9c2cd0bd-2
0.500
JAG-SYN-9c2cd0bd-1
0.483
JAG-SYN-9c2cd0bd-12
0.476
JAG-SYN-9c2cd0bd-13
0.476
MAK-UNK-10dfa458-27
0.475
MAK-UNK-3f402c2b-9
0.433
JOE-SYG-2c9a1216-1
0.413
NAU-LAT-64f4b287-1
0.392
JOE-SYG-2c9a1216-3
0.382
DRR-IMP-dff87f5e-4
0.381
JAG-SYN-9c2cd0bd-10
0.373
JOE-SYG-2c9a1216-2
0.372
SAD-SAT-9a6c5cf3-10
0.359
MAK-UNK-902cc841-9
0.358
SWA-SYN-d2e6fa14-4
0.357
SWA-SYN-6423ea73-4
0.357
MAR-TRE-6a44bbf2-8
0.353
AAR-POS-d2a4d1df-34
0.353
DRR-IMP-dff87f5e-5
0.353
MAK-UNK-902cc841-10
0.349
GIA-UNK-5ec6c2b8-4
0.339
LON-WEI-8f408cad-4
0.338
AAR-POS-d2a4d1df-23
0.338
BEN-DND-03406596-10
0.338
MAR-TRE-6a44bbf2-18
0.338
BEN-DND-76ad4ac9-11
0.324
BEN-DND-03406596-9
0.324
MAK-UNK-7c9d1431-12
0.324
MAC-MCD-4707377b-1
0.320
DRR-IMP-dff87f5e-8
0.310
MAK-UNK-7c9d1431-10
0.310
MAR-TRE-6a44bbf2-32
0.310
BEN-DND-76ad4ac9-4
0.310
ABB-MCD-f8003a30-1
0.310
AHN-SAT-de2502ba-15
0.310
DRR-IMP-dff87f5e-1
0.309
MAR-TRE-6a44bbf2-58
0.309
KAY-MCD-d0fe5261-1
0.309
IND-SYN-6c8299e8-2
0.307
BEN-DND-76ad4ac9-14
0.307
PEI-IMP-ca0b2813-3
0.307
BEN-DND-03406596-3
0.307
BEN-DND-76ad4ac9-7
0.306
MAK-UNK-69bf97dd-1
0.302
KAT-UNK-b2a0d5b1-1
0.301
MAR-TRE-6a44bbf2-43
0.301
AHN-SAT-de2502ba-6
0.301
MAR-TRE-6a44bbf2-21
0.299
MAK-UNK-7c9d1431-9
0.299
SAD-SAT-f2e2579e-6
0.298
SAD-SAT-bc31ec01-10
0.298
MAR-TRE-6a44bbf2-65
0.297
TAT-ENA-80bfd3e5-43
0.297
MAK-UNK-7c9d1431-11
0.297
SAD-SAT-9a6c5cf3-5
0.296
JAN-GHE-bf40f168-1
0.296
MAK-UNK-c74072e5-8
0.296
LON-WEI-120e5cf5-5
0.296
BEN-DND-76ad4ac9-8
0.296
AAR-POS-d2a4d1df-44
0.294
DRR-IMP-dff87f5e-3
0.294
AHN-SAT-de2502ba-5
0.293
NIM-UNI-05f93fcc-3
0.291
DRR-IMP-db50bf6e-5
0.290
MAR-TRE-6a44bbf2-52
0.290
LON-WEI-8f408cad-3
0.290
AAR-POS-d2a4d1df-22
0.290
TAT-ENA-80bfd3e5-25
0.289
BEN-DND-76ad4ac9-3
0.289
MAK-UNK-7c9d1431-4
0.289
SAD-SAT-f2e2579e-5
0.287
MAK-UNK-3f402c2b-11
0.286
JAY-UNK-11f5bdbd-1
0.286
MAK-UNK-69bf97dd-8
0.286
SAD-SAT-f2e2579e-3
0.284
GIA-UNK-995df016-14
0.284
GIA-UNK-eaadd1d4-3
0.284
SAD-SAT-5b1897b2-10
0.284
MAR-TRE-2fd8122f-19
0.282
MAR-TRE-2fd8122f-29
0.282
NIM-UNI-05f93fcc-2
0.282
KAT-UNK-48001bce-1
0.282
KAT-MCD-525c981a-1
0.282
BEN-DND-03406596-8
0.280
MAR-TRE-6a44bbf2-30
0.280
AHN-SAT-de2502ba-2
0.280
WAR-XCH-79d12f6e-3
0.279
DRR-IMP-38dce17f-1
0.279
SAD-SAT-f2e2579e-4
0.279
MAK-UNK-69bf97dd-7
0.279