Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)C2(CCOC2)C1 |
MW: | 394.06 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 66.92 |
cLogP: | 1.2 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
LON-WEI-8f408cad-2
LON-WEI-8f408cad-2
0.458
MAR-TRE-6a44bbf2-4
0.458
AAR-POS-d2a4d1df-32
0.458
BEN-DND-03406596-2
0.418
BEN-DND-76ad4ac9-12
0.418
BEN-DND-76ad4ac9-2
0.382
JOE-SYG-2c9a1216-1
0.375
JAG-SYN-9c2cd0bd-13
0.367
MAK-UNK-3f402c2b-9
0.354
MAK-UNK-6435e6c2-6
0.351
JOE-SYG-2c9a1216-2
0.341
JAG-SYN-9c2cd0bd-1
0.333
JAG-SYN-9c2cd0bd-12
0.333
JAG-SYN-9c2cd0bd-2
0.329
MAK-UNK-10dfa458-27
0.329
SAD-SAT-5b1897b2-10
0.329
DRR-IMP-dff87f5e-4
0.325
DRR-IMP-dff87f5e-5
0.321
AAR-POS-d2a4d1df-34
0.321
MAR-TRE-6a44bbf2-8
0.321
JAG-SYN-9c2cd0bd-11
0.321
JAG-SYN-9c2cd0bd-15
0.316
MAR-TRE-6a44bbf2-18
0.309
BEN-DND-03406596-10
0.309
LON-WEI-8f408cad-4
0.309
AAR-POS-d2a4d1df-23
0.309
BEN-DND-76ad4ac9-8
0.305
MAK-UNK-7c9d1431-10
0.301
BEN-DND-76ad4ac9-11
0.299
BEN-DND-03406596-9
0.299
NAU-LAT-64f4b287-1
0.297
SAD-SAT-bc31ec01-10
0.292
AHN-SAT-de2502ba-15
0.286
MAR-TRE-6a44bbf2-32
0.286
DRR-IMP-dff87f5e-8
0.286
ABB-MCD-f8003a30-1
0.286
NIM-UNI-310206f0-68
0.284
BEN-DND-03406596-3
0.284
IND-SYN-6c8299e8-2
0.284
BEN-DND-76ad4ac9-14
0.284
KAY-MCD-d0fe5261-1
0.284
DRR-IMP-dff87f5e-1
0.284
MAR-TRE-6a44bbf2-58
0.284
MAT-POS-ee51dedd-2
0.284
KAT-UNK-b2a0d5b1-1
0.279
SWA-SYN-d2e6fa14-4
0.277
SWA-SYN-6423ea73-4
0.277
KAT-MCD-525c981a-1
0.277
KAT-UNK-48001bce-1
0.277
MAK-UNK-7c9d1431-11
0.276
MAR-TRE-6a44bbf2-65
0.276
NIM-UNI-310206f0-7
0.276
GIA-UNK-7337c2f3-6
0.276
TAT-ENA-80bfd3e5-43
0.276
MAR-TRE-6a44bbf2-21
0.275
MAK-UNK-7c9d1431-9
0.275
MAK-UNK-c74072e5-8
0.274
SAD-SAT-9a6c5cf3-10
0.274
MED-COV-4280ac29-11
0.273
DRR-IMP-db50bf6e-4
0.273
DRR-IMP-dff87f5e-3
0.272
AAR-POS-d2a4d1df-44
0.272
TAT-ENA-80bfd3e5-25
0.270
PEI-IMP-ca0b2813-3
0.270
MAK-UNK-7c9d1431-4
0.270
DAN-LON-a5fc619e-2
0.270
BEN-DND-76ad4ac9-3
0.270
PEI-IMP-ca0b2813-2
0.268
SAD-SAT-3a925b8b-2
0.268
MAR-TRE-6a44bbf2-52
0.268
AAR-POS-d2a4d1df-22
0.268
AAR-POS-0daf6b7e-15
0.268
LON-WEI-8f408cad-3
0.268
SWA-SYN-d2e6fa14-2
0.267
SWA-SYN-6423ea73-2
0.267
BEN-DND-76ad4ac9-7
0.267
STU-CHA-6d5cfe2b-1
0.267
NIM-UNI-05f93fcc-11
0.267
AAR-POS-d2a4d1df-29
0.266
MAR-TRE-6a44bbf2-61
0.266
DRR-IMP-db50bf6e-1
0.266
JIA-UNI-93b03cae-1
0.265
MAK-UNK-7c9d1431-12
0.265
JAY-UNK-11f5bdbd-1
0.265
MAK-UNK-7c9d1431-13
0.265
MAR-TRE-6a44bbf2-78
0.265
GIA-UNK-7337c2f3-4
0.264
NIM-UNI-05f93fcc-2
0.264
MIH-UNI-e573136b-4
0.263
MED-COV-4280ac29-27
0.263
NIM-UNI-05f93fcc-10
0.263
MAK-UNK-902cc841-9
0.263
DRR-IMP-38dce17f-2
0.262
BEN-DND-03406596-8
0.261
SAD-SAT-6b5a89f0-2
0.261
NIM-UNI-05f93fcc-14
0.261
BEN-DND-03406596-6
0.261
BEN-DND-76ad4ac9-10
0.261
NIM-UNI-05f93fcc-12
0.260
DRR-IMP-38dce17f-1
0.259