Molecular Properties | |
SMILES: | O=C(CCl)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1 |
MW: | 319.04 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 54.45 |
cLogP: | 2.03 |
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
LON-WEI-8f408cad-4
0.643
AAR-POS-d2a4d1df-23
0.643
MAR-TRE-6a44bbf2-18
0.643
BEN-DND-03406596-10
0.643
BEN-DND-76ad4ac9-14
0.571
BEN-DND-03406596-3
0.571
BEN-DND-76ad4ac9-2
0.569
MAC-MCD-4707377b-1
0.562
MAK-UNK-6435e6c2-5
0.544
DAN-MCD-50ec7d1f-1
0.533
BEN-DND-03ad4429-1
0.518
BEN-DND-76ad4ac9-1
0.517
DAN-MCD-5c762fbe-1
0.508
BEN-DND-03ad4429-3
0.508
MAK-UNK-10dfa458-5
0.508
MAK-UNK-10dfa458-29
0.500
BEN-DND-76ad4ac9-7
0.484
BEN-DND-03ad4429-2
0.484
MAK-UNK-3f402c2b-2
0.464
IND-SYN-6c8299e8-2
0.456
MIK-MCD-8542a490-1
0.456
DRR-IMP-dff87f5e-8
0.446
BEN-DND-03ad4429-4
0.444
IND-SYN-6c8299e8-7
0.444
MAK-UNK-7c9d1431-11
0.426
MAR-TRE-6a44bbf2-65
0.426
TAT-ENA-80bfd3e5-43
0.426
BEN-DND-76ad4ac9-4
0.424
MAK-UNK-7c9d1431-4
0.414
TAT-ENA-80bfd3e5-25
0.414
PEI-IMP-ca0b2813-3
0.414
MAK-UNK-69bf97dd-1
0.412
AHN-SAT-de2502ba-6
0.412
MAR-TRE-6a44bbf2-43
0.412
MAR-TRE-6a44bbf2-32
0.403
ABB-MCD-f8003a30-1
0.403
MAK-UNK-7c9d1431-10
0.403
AHN-SAT-de2502ba-5
0.400
GIA-UNK-5ec6c2b8-4
0.400
KAY-MCD-d0fe5261-1
0.385
MAR-TRE-6a44bbf2-58
0.385
DRR-IMP-dff87f5e-1
0.385
MAK-UNK-902cc841-7
0.383
KEN-MCD-4729dc98-1
0.379
JAY-UNK-11f5bdbd-1
0.379
MAK-UNK-7c9d1431-9
0.375
MAR-TRE-6a44bbf2-21
0.375
MAR-TRE-6a44bbf2-100
0.375
AHN-SAT-de2502ba-4
0.375
MAK-UNK-902cc841-8
0.373
IND-SYN-6c8299e8-9
0.370
MAK-UNK-7c9d1431-8
0.368
MAR-TRE-6a44bbf2-26
0.368
MAK-UNK-7c9d1431-19
0.366
AAR-POS-d2a4d1df-32
0.358
LON-WEI-8f408cad-2
0.358
MAR-TRE-6a44bbf2-4
0.358
AHN-SAT-de2502ba-19
0.357
MAR-TRE-fd17a9b8-56
0.357
DRR-IMP-dff87f5e-2
0.356
MAK-UNK-7c9d1431-3
0.356
MIK-MCD-9143301b-1
0.356
DRR-IMP-dff87f5e-4
0.354
DRR-IMP-38dce17f-2
0.353
GIA-UNK-eaadd1d4-3
0.352
KAT-UNK-b2a0d5b1-1
0.352
KAY-MCD-59dc2eb3-1
0.351
JON-MCD-47e58de1-1
0.350
PEI-IMP-ca0b2813-1
0.348
MAK-UNK-c74072e5-8
0.348
ABB-MCD-f549d731-1
0.347
BEN-DND-03406596-8
0.347
KEN-MCD-6084b33e-1
0.347
AHN-SAT-de2502ba-18
0.347
AHN-SAT-de2502ba-17
0.347
SAD-SAT-9a6c5cf3-6
0.345
MAK-UNK-69bf97dd-5
0.341
ZAC-MCD-b48cf8fd-1
0.340
MAK-UNK-7c9d1431-12
0.338
MAK-MCD-5988fef6-1
0.338
SAD-SAT-9a6c5cf3-10
0.338
MAR-TRE-fd17a9b8-92
0.337
MAK-UNK-7c9d1431-7
0.333
MAR-TRE-6a44bbf2-49
0.333
MAR-TRE-6a44bbf2-3
0.333
MAK-UNK-7c9d1431-5
0.333
MAR-TRE-6a44bbf2-31
0.333
SAD-SAT-f2e2579e-5
0.333
SAD-SAT-9a6c5cf3-1
0.330
SAD-SAT-f2e2579e-7
0.330
MAR-TRE-fd17a9b8-22
0.329
MAR-TRE-fd17a9b8-50
0.329
MAR-TRE-6a44bbf2-38
0.329
MAR-TRE-fd17a9b8-47
0.329
MAK-UNK-7c9d1431-1
0.329
MAR-TRE-fd17a9b8-100
0.329
DRR-IMP-dff87f5e-5
0.329
MAR-TRE-6a44bbf2-8
0.329
AAR-POS-d2a4d1df-34
0.329
DRR-IMP-dff87f5e-6
0.329