Molecular Properties | |
SMILES: | CC(=O)N1CCN(C(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c2cccs2)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-902cc841-9
0.679
MAK-UNK-902cc841-8
0.675
MAK-UNK-6435e6c2-5
0.612
DAN-MCD-5c762fbe-1
0.514
MAK-UNK-902cc841-2
0.488
DAN-MCD-50ec7d1f-1
0.474
MAR-TRE-6a44bbf2-18
0.474
BEN-DND-03406596-10
0.474
AAR-POS-d2a4d1df-23
0.474
LON-WEI-8f408cad-4
0.474
BEN-DND-03ad4429-3
0.474
MAK-UNK-10dfa458-5
0.474
MAK-UNK-10dfa458-29
0.468
MAK-UNK-902cc841-10
0.446
BEN-DND-76ad4ac9-14
0.434
BEN-DND-03406596-3
0.434
ALE-MCD-a1893bfb-1
0.419
BEN-DND-03ad4429-4
0.409
IND-SYN-6c8299e8-7
0.409
ANT-OPE-7824651a-2
0.407
MAK-UNK-6435e6c2-1
0.395
BEN-DND-76ad4ac9-6
0.383
BEN-DND-03ad4429-1
0.382
MAK-UNK-902cc841-15
0.380
ANT-OPE-7824651a-1
0.375
MAK-UNK-6435e6c2-11
0.368
MAK-UNK-4c6b313a-1
0.368
MAK-UNK-6435e6c2-10
0.368
MAK-UNK-902cc841-3
0.367
BEN-DND-03ad4429-2
0.366
MAK-UNK-7c9d1431-11
0.360
TAT-ENA-80bfd3e5-43
0.360
MAR-TRE-6a44bbf2-65
0.360
KEN-MCD-6084b33e-1
0.360
MAK-UNK-902cc841-5
0.360
KEN-MCD-4729dc98-1
0.359
IND-SYN-6c8299e8-2
0.352
MAK-UNK-6435e6c2-6
0.342
DRR-IMP-dff87f5e-8
0.341
MAK-UNK-902cc841-1
0.340
PEI-IMP-ca0b2813-3
0.337
MAK-MCD-5988fef6-1
0.337
MIK-MCD-8542a490-1
0.337
KAY-MCD-59dc2eb3-1
0.336
MAC-MCD-4707377b-1
0.333
ZAC-MCD-b48cf8fd-1
0.327
MAR-TRE-6a44bbf2-32
0.326
ABB-MCD-f8003a30-1
0.326
MAK-UNK-7c9d1431-4
0.322
TAT-ENA-80bfd3e5-25
0.322
ABB-MCD-f549d731-1
0.321
MAK-UNK-902cc841-12
0.320
MAT-POS-590ac91e-69
0.317
MAK-UNK-902cc841-11
0.314
MAK-UNK-7c9d1431-10
0.310
AAR-POS-d2a4d1df-22
0.310
LON-WEI-8f408cad-3
0.310
MAR-TRE-6a44bbf2-52
0.310
MAK-UNK-902cc841-16
0.302
SAD-SAT-bc31ec01-9
0.301
MAK-UNK-3f402c2b-2
0.301
MAT-POS-590ac91e-57
0.301
MAK-UNK-7c9d1431-19
0.300
MAK-UNK-7c9d1431-8
0.299
MAR-TRE-6a44bbf2-26
0.299
BEN-DND-76ad4ac9-13
0.297
BEN-DND-03406596-5
0.297
ZAC-MCD-2bc172dc-1
0.295
MAR-TRE-6a44bbf2-58
0.294
DRR-IMP-dff87f5e-1
0.294
KAY-MCD-d0fe5261-1
0.294
MAK-UNK-10dfa458-4
0.294
BEN-DND-03ad4429-7
0.294
MAT-POS-ee51dedd-2
0.294
SAD-SAT-2ceae68f-1
0.293
BEN-DND-76ad4ac9-7
0.292
JAY-UNK-11f5bdbd-1
0.291
MAK-UNK-10dfa458-26
0.291
MAT-POS-590ac91e-56
0.288
MAR-TRE-6a44bbf2-21
0.286
ALE-MCD-4ac17b19-1
0.286
MAK-UNK-7c9d1431-9
0.286
MAK-UNK-c74072e5-9
0.284
DRR-IMP-dff87f5e-6
0.284
PEI-IMP-ca0b2813-1
0.284
MAK-UNK-10dfa458-18
0.282
JON-UNI-bb9dc649-11
0.281
MAK-UNK-23561bf6-1
0.280
GIA-UNK-7337c2f3-5
0.280
MAK-UNK-7c9d1431-3
0.280
DRR-IMP-dff87f5e-2
0.280
MAK-UNK-10dfa458-46
0.279
NAU-LAT-64f4b287-1
0.278
MAK-UNK-009ebe36-2
0.277
MAK-UNK-b1d4dcd7-6
0.276
MAR-TRE-6a44bbf2-78
0.276
MAK-UNK-7c9d1431-13
0.276
MAT-POS-590ac91e-65
0.275
PEI-IMP-3d837503-2
0.274
MAK-UNK-7c9d1431-1
0.274