Molecular Properties | |
SMILES: | CC(=O)N1CCN(C(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c2cccs2)CC1 |
MW: | 512.604 |
Fraction sp3: | 0.45 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 81.24 |
cLogP: | 1.7646 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
MAK-UNK-902cc841-7
0.679
MAK-UNK-902cc841-10
0.671
MAK-UNK-6435e6c2-6
0.591
MAK-UNK-902cc841-2
0.494
NAU-LAT-64f4b287-1
0.464
JAG-SYN-9c2cd0bd-1
0.453
JAG-SYN-9c2cd0bd-12
0.449
MAK-UNK-10dfa458-27
0.447
LON-WEI-8f408cad-2
0.447
JAG-SYN-9c2cd0bd-2
0.447
AAR-POS-d2a4d1df-32
0.447
MAR-TRE-6a44bbf2-4
0.447
MAK-UNK-902cc841-8
0.446
JAG-SYN-9c2cd0bd-13
0.430
MAK-UNK-6435e6c2-1
0.419
BEN-DND-76ad4ac9-12
0.410
BEN-DND-03406596-2
0.410
MAK-UNK-902cc841-15
0.400
JAG-SYN-9c2cd0bd-15
0.380
MAK-UNK-902cc841-3
0.371
JAG-SYN-9c2cd0bd-11
0.367
MAK-UNK-902cc841-5
0.364
BEN-DND-76ad4ac9-2
0.358
MAK-UNK-6435e6c2-5
0.354
MAK-UNK-902cc841-1
0.344
SWA-SYN-d2e6fa14-4
0.340
SWA-SYN-6423ea73-4
0.340
JAG-SYN-9c2cd0bd-10
0.333
ALE-MCD-a1893bfb-1
0.333
MAK-UNK-6435e6c2-10
0.321
MAK-UNK-6435e6c2-11
0.321
MAK-UNK-4c6b313a-1
0.321
AAR-POS-d2a4d1df-22
0.313
BEN-DND-03ad4429-7
0.313
MAR-TRE-6a44bbf2-52
0.313
LON-WEI-8f408cad-3
0.313
MAK-UNK-10dfa458-4
0.313
MAK-UNK-902cc841-12
0.310
MAK-UNK-10dfa458-26
0.310
MAK-UNK-902cc841-16
0.305
MAK-UNK-902cc841-11
0.304
BEN-DND-03406596-5
0.300
BEN-DND-76ad4ac9-13
0.300
ANT-OPE-7824651a-2
0.299
DAN-MCD-5c762fbe-1
0.291
JON-UNI-bb9dc649-11
0.284
ANT-OPE-7824651a-1
0.277
JON-UIO-066ce08b-6
0.276
MAK-UNK-3f402c2b-9
0.275
DRR-IMP-dff87f5e-4
0.274
BEN-DND-03ad4429-8
0.274
MAK-UNK-23561bf6-1
0.268
MAK-UNK-6435e6c2-2
0.268
MAK-UNK-b1d4dcd7-6
0.267
SAD-SAT-2fd372d1-1
0.264
JOE-SYG-2c9a1216-3
0.263
MAT-POS-590ac91e-68
0.262
LON-WEI-8f408cad-4
0.261
AAR-POS-d2a4d1df-23
0.261
MAR-TRE-6a44bbf2-18
0.261
BEN-DND-03ad4429-3
0.261
MAK-UNK-10dfa458-5
0.261
DAN-MCD-50ec7d1f-1
0.261
BEN-DND-03406596-10
0.261
KEN-MCD-6084b33e-1
0.261
JOE-SYG-2c9a1216-1
0.260
SAD-SAT-f2e2579e-8
0.260
MAK-UNK-902cc841-6
0.259
SAD-SAT-bc31ec01-9
0.259
WIL-LEE-23e8b574-5
0.258
DRR-IMP-dff87f5e-5
0.258
MAR-TRE-6a44bbf2-8
0.258
AAR-POS-d2a4d1df-34
0.258
MAK-UNK-10dfa458-29
0.258
NIM-UNI-05f93fcc-3
0.258
MAK-UNK-902cc841-17
0.257
JAN-GHE-bf40f168-1
0.256
JON-UIO-066ce08b-1
0.256
JON-UIO-066ce08b-4
0.256
BEN-DND-76ad4ac9-11
0.255
BEN-DND-03406596-3
0.255
BEN-DND-76ad4ac9-14
0.255
BEN-DND-03406596-9
0.255
MAT-POS-916a2c5a-3
0.255
KRI-MAR-d2e3ef86-4
0.255
MAK-UNK-212f693e-1
0.253
DOU-UNK-b5326f8f-6
0.252
NIM-UNI-05f93fcc-10
0.250
ALE-MCD-4ac17b19-1
0.250
BEN-DND-76ad4ac9-1
0.250
MAT-POS-590ac91e-70
0.250
MAT-POS-590ac91e-69
0.248
MAK-UNK-902cc841-4
0.248
VLA-UCB-05e51b3f-2
0.248
NAU-LAT-a5c7d7cb-3
0.248
MAK-UNK-7c9d1431-11
0.247
TAT-ENA-80bfd3e5-43
0.247
MAR-TRE-6a44bbf2-65
0.247
WIL-LEE-23e8b574-1
0.247
JOE-SYG-2c9a1216-2
0.245