Molecular Properties | |
SMILES: | CC(=O)N1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 |
MW: | 304.318 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 57.69 |
cLogP: | 0.8176 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z192950298 |
Enamine Extended REAL: | s_40____79524____153317 |
Mcule: | MCULE-1337105304 |
Mcule Ultimate: | XHXBNPUWGRGXJD-UHFFFAOYSA-N |
Activated haloaromatics
Hetero_hetero
LON-WEI-8f408cad-4
MAK-UNK-6435e6c2-5
0.620
ZAC-MCD-2bc172dc-1
0.611
MAK-UNK-4c6b313a-1
0.510
MAK-UNK-6435e6c2-11
0.510
MAK-UNK-6435e6c2-10
0.510
ANT-OPE-7824651a-2
0.475
DAN-MCD-5c762fbe-1
0.466
MAK-UNK-6435e6c2-6
0.463
MAK-UNK-23561bf6-1
0.444
MAK-UNK-6435e6c2-1
0.436
ANT-OPE-7824651a-1
0.424
MAK-UNK-902cc841-7
0.419
MAK-UNK-10dfa458-5
0.417
AAR-POS-d2a4d1df-23
0.417
DAN-MCD-50ec7d1f-1
0.417
BEN-DND-03ad4429-3
0.417
LON-WEI-8f408cad-4
0.417
BEN-DND-03406596-10
0.417
MAR-TRE-6a44bbf2-18
0.417
SAD-SAT-bc31ec01-5
0.414
MAK-UNK-10dfa458-29
0.410
MAK-UNK-902cc841-8
0.408
MAR-TRE-6a44bbf2-58
0.407
DRR-IMP-dff87f5e-1
0.407
KAY-MCD-d0fe5261-1
0.407
ABB-MCD-f8003a30-1
0.403
MAR-TRE-6a44bbf2-32
0.403
TAT-ENA-80bfd3e5-43
0.385
MAK-UNK-7c9d1431-11
0.385
MAR-TRE-6a44bbf2-65
0.385
KEN-MCD-6084b33e-1
0.385
MAR-TRE-6a44bbf2-68
0.383
MAR-LAB-efb042c5-5
0.383
AAR-POS-d2a4d1df-27
0.383
MAK-UNK-7c9d1431-10
0.381
MAR-TRE-6a44bbf2-78
0.377
MAK-UNK-7c9d1431-13
0.377
PEI-IMP-ca0b2813-3
0.373
SAD-SAT-bc31ec01-9
0.373
MAK-UNK-7c9d1431-8
0.365
MAR-TRE-6a44bbf2-26
0.365
MAT-POS-ee51dedd-2
0.361
DRR-IMP-dff87f5e-8
0.359
MAT-POS-b5746674-57
0.357
ALE-MCD-4ac17b19-1
0.356
WIL-LEE-23e8b574-1
0.356
JAY-UNK-11f5bdbd-1
0.355
AHN-SAT-02ef6d10-5
0.354
BEN-DND-03406596-3
0.353
BEN-DND-76ad4ac9-14
0.353
IND-SYN-6c8299e8-2
0.353
MAR-TRE-6a44bbf2-21
0.350
MAK-UNK-7c9d1431-9
0.350
MAT-POS-b5746674-55
0.350
KAI-MCD-cb49037b-1
0.349
IND-SYN-6c8299e8-7
0.347
BEN-DND-03ad4429-4
0.347
DRR-IMP-dff87f5e-3
0.344
AAR-POS-d2a4d1df-44
0.344
MAK-UNK-10dfa458-18
0.344
MAK-UNK-7c9d1431-17
0.344
MAK-UNK-c74072e5-8
0.344
DRR-IMP-dff87f5e-6
0.344
BEN-DND-03406596-8
0.343
MAK-UNK-7c9d1431-19
0.343
MAK-UNK-10dfa458-46
0.339
DRR-IMP-dff87f5e-7
0.339
PEI-IMP-ca0b2813-2
0.339
SAD-SAT-3a925b8b-2
0.339
SAD-SAT-bc31ec01-4
0.338
MAK-UNK-902cc841-9
0.333
SAD-SAT-b55127ae-5
0.333
TAT-ENA-80bfd3e5-25
0.333
MAK-UNK-7c9d1431-4
0.333
PEI-IMP-3d837503-2
0.333
KAT-UNK-b2a0d5b1-1
0.328
MAK-UNK-7c9d1431-22
0.328
PEI-IMP-3d837503-4
0.328
MAK-UNK-902cc841-10
0.325
MAK-UNK-7c9d1431-6
0.323
DRR-IMP-dff87f5e-9
0.323
PEI-IMP-ca0b2813-1
0.323
BAP-BUY-55f8bcae-1
0.319
DRR-IMP-db50bf6e-5
0.317
DRR-IMP-dff87f5e-2
0.314
SAD-SAT-2fd372d1-9
0.314
MAK-UNK-7c9d1431-3
0.314
RHE-UNK-eb059eb9-1
0.313
AAR-POS-0daf6b7e-3
0.313
WAR-XCH-79d12f6e-6
0.313
MAR-TRE-6a44bbf2-13
0.313
MAR-TRE-6a44bbf2-4
0.312
LON-WEI-8f408cad-2
0.312
AAR-POS-d2a4d1df-32
0.312
MAT-POS-b5746674-56
0.312
MAK-UNK-7c9d1431-5
0.310
MAK-UNK-7c9d1431-7
0.310
MAR-TRE-6a44bbf2-31
0.310
MAR-TRE-6a44bbf2-49
0.310
BEN-DND-76ad4ac9-6
0.308