Molecular Properties | |
SMILES: | O=C(O)CCC(=O)N1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 |
MW: | 362.354 |
Fraction sp3: | 0.43 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 94.99 |
cLogP: | 0.6625 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
LON-WEI-8f408cad-4
ALE-MCD-a1893bfb-1
0.611
AAR-POS-d2a4d1df-23
0.446
DAN-MCD-50ec7d1f-1
0.446
MAR-TRE-6a44bbf2-18
0.446
BEN-DND-03406596-10
0.446
LON-WEI-8f408cad-4
0.446
SAD-SAT-bc31ec01-5
0.444
KAY-MCD-d0fe5261-1
0.438
DRR-IMP-dff87f5e-1
0.438
MAR-TRE-6a44bbf2-58
0.438
MAK-UNK-7c9d1431-10
0.412
ABB-MCD-f8003a30-1
0.412
MAR-TRE-6a44bbf2-32
0.412
MAR-TRE-6a44bbf2-21
0.406
MAK-UNK-7c9d1431-9
0.406
PEI-IMP-ca0b2813-3
0.403
DRR-IMP-dff87f5e-8
0.391
JAY-UNK-11f5bdbd-1
0.388
MAK-UNK-6435e6c2-5
0.385
BEN-DND-76ad4ac9-14
0.384
BEN-DND-03406596-3
0.384
IND-SYN-6c8299e8-2
0.384
KAI-MCD-cb49037b-1
0.382
DRR-IMP-dff87f5e-3
0.379
AAR-POS-d2a4d1df-44
0.379
DRR-IMP-dff87f5e-6
0.377
MAR-TRE-6a44bbf2-26
0.377
MAK-UNK-7c9d1431-8
0.377
IND-SYN-6c8299e8-7
0.377
TAT-ENA-80bfd3e5-43
0.375
MAK-UNK-7c9d1431-11
0.375
BEN-DND-03406596-8
0.375
KEN-MCD-6084b33e-1
0.375
MAR-TRE-6a44bbf2-65
0.375
DRR-IMP-dff87f5e-7
0.373
MAT-POS-ee51dedd-2
0.373
PEI-IMP-ca0b2813-2
0.373
SAD-SAT-3a925b8b-2
0.373
MAR-TRE-6a44bbf2-68
0.373
AAR-POS-d2a4d1df-27
0.373
MAR-LAB-efb042c5-5
0.373
SAD-SAT-bc31ec01-4
0.371
MAR-TRE-6a44bbf2-78
0.368
MAK-UNK-7c9d1431-13
0.368
TAT-ENA-80bfd3e5-25
0.365
MAK-UNK-7c9d1431-4
0.365
MAK-UNK-10dfa458-5
0.362
BEN-DND-03ad4429-3
0.362
DAN-MCD-5c762fbe-1
0.362
KAT-UNK-b2a0d5b1-1
0.361
DRR-IMP-dff87f5e-9
0.357
MAK-UNK-7c9d1431-6
0.357
PEI-IMP-ca0b2813-1
0.357
MAK-UNK-c74072e5-8
0.357
MAK-UNK-10dfa458-29
0.357
MAK-UNK-7c9d1431-17
0.357
MAK-UNK-7c9d1431-19
0.356
SAD-SAT-2ceae68f-6
0.349
SAD-SAT-3a925b8b-6
0.348
LON-WEI-8f408cad-2
0.348
MAR-TRE-6a44bbf2-4
0.348
AAR-POS-d2a4d1df-32
0.348
AAR-POS-d2a4d1df-36
0.347
DRR-IMP-dff87f5e-2
0.347
MAK-UNK-7c9d1431-3
0.347
DRR-IMP-dff87f5e-4
0.343
MAK-UNK-7c9d1431-22
0.342
MAR-TRE-6a44bbf2-31
0.342
MAR-TRE-6a44bbf2-49
0.342
MAK-UNK-7c9d1431-7
0.342
MAK-UNK-7c9d1431-5
0.342
BEN-DND-03ad4429-4
0.342
DRR-IMP-dff87f5e-5
0.338
AAR-POS-d2a4d1df-34
0.338
MAR-TRE-6a44bbf2-8
0.338
MAK-UNK-7c9d1431-1
0.338
MAR-TRE-6a44bbf2-38
0.338
MAK-UNK-d4768348-1
0.333
MAK-UNK-d4768348-4
0.333
BEN-DND-03406596-6
0.333
BEN-DND-76ad4ac9-10
0.333
SAD-SAT-3a925b8b-9
0.333
MAR-TRE-6a44bbf2-52
0.333
AAR-POS-d2a4d1df-22
0.333
LON-WEI-8f408cad-3
0.333
JAG-SYN-9c2cd0bd-13
0.333
BAP-BUY-55f8bcae-1
0.333
DRR-IMP-db50bf6e-5
0.333
MAR-TRE-3159af1a-19
0.329
MAK-UNK-c74072e5-9
0.329
MAK-UNK-7c9d1431-2
0.329
MAR-TRE-6a44bbf2-36
0.329
MAT-MCD-d830d9d8-1
0.329
AAR-POS-0daf6b7e-3
0.329
WAR-XCH-79d12f6e-6
0.329
MAR-TRE-6a44bbf2-13
0.329
RHE-UNK-eb059eb9-1
0.329
MAK-UNK-d4768348-8
0.329
SAD-SAT-3a925b8b-3
0.329
MAK-UNK-d4768348-5
0.329