Molecular Properties | |
SMILES: | CC(=O)N1CCN(C(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c2ccsc2)CC1 |
MW: | 494.614 |
Fraction sp3: | 0.45 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 81.24 |
cLogP: | 1.6255 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
MAK-UNK-902cc841-10
0.688
MAK-UNK-902cc841-7
0.675
MAK-UNK-6435e6c2-5
0.594
MAK-UNK-902cc841-1
0.517
DAN-MCD-5c762fbe-1
0.500
MAK-UNK-10dfa458-5
0.481
BEN-DND-03ad4429-3
0.481
AAR-POS-d2a4d1df-23
0.462
BEN-DND-03406596-10
0.462
DAN-MCD-50ec7d1f-1
0.462
LON-WEI-8f408cad-4
0.462
MAR-TRE-6a44bbf2-18
0.462
MAK-UNK-10dfa458-29
0.456
MAK-UNK-902cc841-9
0.446
MAK-UNK-4c6b313a-1
0.432
MAK-UNK-6435e6c2-10
0.432
MAK-UNK-6435e6c2-11
0.432
BEN-DND-03406596-3
0.424
BEN-DND-76ad4ac9-14
0.424
BEN-DND-03ad4429-4
0.416
ALE-MCD-a1893bfb-1
0.408
IND-SYN-6c8299e8-7
0.400
MAK-UNK-902cc841-17
0.398
ANT-OPE-7824651a-2
0.398
MAK-UNK-902cc841-4
0.390
BEN-DND-03ad4429-1
0.390
MAK-UNK-902cc841-6
0.376
BEN-DND-76ad4ac9-6
0.373
TAT-ENA-80bfd3e5-43
0.368
KEN-MCD-6084b33e-1
0.368
MAK-UNK-7c9d1431-11
0.368
MAR-TRE-6a44bbf2-65
0.368
ANT-OPE-7824651a-1
0.367
SAD-SAT-bc31ec01-9
0.358
BEN-DND-03ad4429-2
0.357
MAK-UNK-902cc841-2
0.354
MAK-UNK-10dfa458-18
0.354
MAT-POS-ee51dedd-2
0.349
IND-SYN-6c8299e8-2
0.344
MAK-UNK-902cc841-14
0.343
KEN-MCD-4729dc98-1
0.340
MAK-UNK-902cc841-13
0.337
DRR-IMP-dff87f5e-8
0.333
ABB-MCD-f8003a30-1
0.333
MAK-UNK-10dfa458-46
0.333
MAR-TRE-6a44bbf2-32
0.333
MAK-UNK-6435e6c2-1
0.333
MAK-UNK-6435e6c2-6
0.333
KAY-MCD-59dc2eb3-1
0.330
PEI-IMP-ca0b2813-3
0.330
ABB-MCD-f549d731-1
0.327
MAK-UNK-7264f48c-6
0.327
MAC-MCD-4707377b-1
0.326
MAK-UNK-7c9d1431-10
0.318
MIK-MCD-8542a490-1
0.317
MAK-MCD-5988fef6-1
0.316
TAT-ENA-80bfd3e5-25
0.315
MAK-UNK-7c9d1431-4
0.315
MAK-UNK-902cc841-18
0.313
MAK-UNK-7264f48c-5
0.313
MAT-POS-590ac91e-69
0.311
ZAC-MCD-b48cf8fd-1
0.310
MAK-UNK-7264f48c-1
0.306
MAK-UNK-7264f48c-4
0.304
MAK-UNK-7264f48c-3
0.298
MAT-POS-590ac91e-57
0.295
MAK-UNK-7264f48c-2
0.294
MAK-UNK-7c9d1431-19
0.293
ALE-MCD-4ac17b19-1
0.293
MAK-UNK-7c9d1431-8
0.292
MAR-TRE-6a44bbf2-26
0.292
MAK-UNK-c74072e5-9
0.291
NAU-LAT-a5c7d7cb-6
0.291
MAK-UNK-902cc841-15
0.290
ZAC-MCD-2bc172dc-1
0.289
MAR-TRE-6a44bbf2-58
0.287
KAY-MCD-d0fe5261-1
0.287
DRR-IMP-dff87f5e-1
0.287
SAD-SAT-2ceae68f-1
0.287
JAY-UNK-11f5bdbd-1
0.284
MAT-POS-590ac91e-56
0.283
MAK-UNK-902cc841-3
0.283
PEI-IMP-3d837503-2
0.282
MIH-UNI-6b9ca91a-2
0.282
MAK-UNK-3f402c2b-2
0.281
PEI-IMP-3d837503-4
0.279
MAR-TRE-6a44bbf2-21
0.279
MAK-UNK-7c9d1431-9
0.279
MAK-UNK-902cc841-5
0.278
VLA-UCB-05e51b3f-2
0.276
NAU-LAT-a5c7d7cb-3
0.276
JON-UNI-bb9dc649-11
0.275
MAK-UNK-23561bf6-1
0.274
MAK-UNK-7c9d1431-3
0.274
DRR-IMP-dff87f5e-2
0.274
GIA-UNK-7337c2f3-5
0.274
MAK-UNK-009ebe36-2
0.272
BEN-DND-76ad4ac9-7
0.272
MAK-UNK-6ca90168-19
0.272
MAT-POS-590ac91e-65
0.270