Molecular Properties | |
SMILES: | O=C(C1CO1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 |
MW: | 332.328 |
Fraction sp3: | 0.46 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 70.22 |
cLogP: | 0.1965 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
CH2_S#O_3_ring
Three-membered heterocycle
Three-membered heterocycles
Activated haloaromatics
Filter40_epoxide_aziridine
epoxides
Hetero_hetero
Three_Membered_Heterocycle
MAK-UNK-6435e6c2-6
0.630
JAG-SYN-9c2cd0bd-1
0.586
JAG-SYN-9c2cd0bd-2
0.576
MAK-UNK-10dfa458-27
0.576
LON-WEI-8f408cad-2
0.576
MAR-TRE-6a44bbf2-4
0.576
AAR-POS-d2a4d1df-32
0.576
JAG-SYN-9c2cd0bd-13
0.548
BEN-DND-76ad4ac9-12
0.493
BEN-DND-03406596-2
0.493
JAG-SYN-9c2cd0bd-15
0.484
BEN-DND-76ad4ac9-2
0.476
NAU-LAT-64f4b287-1
0.472
JAG-SYN-9c2cd0bd-11
0.468
MAK-UNK-902cc841-9
0.449
MAK-UNK-902cc841-10
0.420
SWA-SYN-6423ea73-4
0.410
SWA-SYN-d2e6fa14-4
0.410
JAG-SYN-9c2cd0bd-10
0.357
DRR-IMP-dff87f5e-4
0.343
MAK-UNK-3f402c2b-9
0.338
JOE-SYG-2c9a1216-3
0.333
JOE-SYG-2c9a1216-1
0.329
SAD-SAT-9a6c5cf3-10
0.329
MAK-UNK-6435e6c2-5
0.324
AAR-POS-d2a4d1df-34
0.319
MAR-TRE-6a44bbf2-8
0.319
DRR-IMP-dff87f5e-5
0.319
JAG-SYN-9c2cd0bd-7
0.315
JAN-GHE-bf40f168-1
0.313
AAR-POS-d2a4d1df-23
0.306
BEN-DND-03ad4429-3
0.306
DAN-MCD-50ec7d1f-1
0.306
BEN-DND-03406596-10
0.306
MAR-TRE-6a44bbf2-18
0.306
DAN-MCD-5c762fbe-1
0.306
MAK-UNK-10dfa458-5
0.306
LON-WEI-8f408cad-4
0.306
MAK-UNK-10dfa458-29
0.301
ANT-OPE-7824651a-2
0.297
BEN-DND-76ad4ac9-11
0.295
BEN-DND-03406596-9
0.295
JOE-SYG-2c9a1216-2
0.294
MAK-UNK-6435e6c2-1
0.294
KAT-UNK-b2a0d5b1-1
0.289
KEN-MCD-6084b33e-1
0.286
KEN-MCD-4729dc98-1
0.284
DRR-IMP-dff87f5e-8
0.280
MAK-UNK-7c9d1431-10
0.280
MAR-TRE-6a44bbf2-32
0.280
ABB-MCD-f8003a30-1
0.280
ALE-MCD-a1893bfb-1
0.279
BEN-DND-03406596-3
0.278
BEN-DND-76ad4ac9-14
0.278
PEI-IMP-ca0b2813-3
0.278
IND-SYN-6c8299e8-2
0.278
DRR-IMP-db50bf6e-5
0.278
AAR-POS-d2a4d1df-22
0.278
MAK-UNK-10dfa458-4
0.278
BEN-DND-03ad4429-7
0.278
DRR-IMP-dff87f5e-1
0.278
KAY-MCD-d0fe5261-1
0.278
LON-WEI-8f408cad-3
0.278
MAR-TRE-6a44bbf2-52
0.278
MAR-TRE-6a44bbf2-58
0.278
MAK-UNK-10dfa458-26
0.274
SAD-SAT-f2e2579e-3
0.274
SAD-SAT-bc31ec01-10
0.273
SAD-SAT-f2e2579e-6
0.273
ANT-OPE-7824651a-1
0.272
NIM-UNI-05f93fcc-2
0.272
PEI-IMP-3d837503-2
0.271
SAD-SAT-9a6c5cf3-5
0.271
MAR-TRE-6a44bbf2-24
0.270
MAK-UNK-7c9d1431-11
0.269
MAR-TRE-6a44bbf2-65
0.269
TAT-ENA-80bfd3e5-43
0.269
MAT-POS-590ac91e-70
0.269
BEN-DND-03406596-6
0.268
BEN-DND-76ad4ac9-10
0.268
MAK-UNK-7c9d1431-9
0.268
MAR-TRE-6a44bbf2-21
0.268
PEI-IMP-3d837503-4
0.268
PEI-IMP-ca0b2813-1
0.267
SAD-SAT-f2e2579e-8
0.267
MAR-TRE-3159af1a-61
0.267
MAK-UNK-c74072e5-8
0.267
NIM-UNI-05f93fcc-3
0.265
MAK-UNK-4c6b313a-1
0.265
MAK-UNK-6435e6c2-10
0.265
MAK-UNK-6435e6c2-11
0.265
AAR-POS-d2a4d1df-44
0.264
DRR-IMP-dff87f5e-3
0.264
ZAC-MCD-2bc172dc-1
0.263
SAD-SAT-2fd372d1-7
0.263
MAK-UNK-7c9d1431-4
0.263
TAT-ENA-80bfd3e5-25
0.263
IND-SYN-6c8299e8-7
0.262
BEN-DND-7e92b6ca-8
0.262
SAD-SAT-f2e2579e-5
0.262