Molecular Properties | |
SMILES: | CC(=O)N1CCN(C(C(=O)N(c2ccc(F)cc2)C2C=CS(=O)(=O)C2)c2cccs2)CC1 |
MW: | 477.583 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 78.0 |
cLogP: | 2.4363 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated double bonds (3)
Filter88_ene_sulfone
MAK-UNK-902cc841-6
0.679
AAR-POS-0daf6b7e-8
0.432
MAK-UNK-902cc841-15
0.365
MAK-UNK-902cc841-9
0.364
MAK-UNK-902cc841-7
0.360
MAK-UNK-902cc841-2
0.347
MAK-UNK-902cc841-3
0.340
JAR-IMP-ed466bb3-18
0.336
AAR-POS-0daf6b7e-7
0.322
AAR-POS-0daf6b7e-1
0.310
THO-SYG-98fc3427-2
0.300
MAK-UNK-752736de-1
0.297
THO-SYG-98fc3427-8
0.295
MAK-UNK-7c9d1431-15
0.293
SEL-UNI-8426c22c-1
0.291
THO-SYG-98fc3427-1
0.290
MAK-UNK-902cc841-16
0.290
THO-SYG-98fc3427-9
0.290
MAK-UNK-902cc841-1
0.288
MAK-UNK-902cc841-12
0.283
THO-SYG-98fc3427-10
0.280
MAK-UNK-902cc841-10
0.280
JAN-GHE-4287bd1a-7
0.280
MAK-UNK-902cc841-8
0.278
SAL-INS-1c7a5a55-10
0.278
HAN-NEW-5f56c3bc-5
0.277
SAL-INS-1c7a5a55-8
0.276
WIL-LEE-23e8b574-5
0.272
MAK-UNK-902cc841-17
0.269
SAD-SAT-9a6c5cf3-8
0.268
MAK-UNK-902cc841-11
0.266
MAK-UNK-b1d4dcd7-6
0.266
MAK-UNK-6435e6c2-1
0.264
THO-SYG-98fc3427-11
0.264
JAN-GHE-4287bd1a-8
0.262
SAL-INS-1c7a5a55-9
0.259
NAU-LAT-a5c7d7cb-3
0.259
VLA-UCB-05e51b3f-2
0.259
SAL-INS-1c7a5a55-7
0.257
NAU-LAT-a5c7d7cb-5
0.257
MAK-UNK-6435e6c2-2
0.253
DOU-UNK-b5326f8f-6
0.252
NAU-LAT-a5c7d7cb-6
0.250
GIA-UNK-7337c2f3-4
0.250
YUN-WES-58b0dbae-4
0.248
MAK-UNK-902cc841-4
0.248
ISA-SCH-8e98219b-2
0.245
DAV-SYG-f22c749d-8
0.241
MIC-UNK-5a93dd5f-10
0.241
MIC-UNK-6ab519a7-1
0.241
NAU-LAT-a5c7d7cb-2
0.241
NIR-THE-590dedc7-1
0.241
SEL-UNI-49ab05bd-2
0.240
THO-SYG-98fc3427-5
0.240
MAK-UNK-c74072e5-3
0.240
DAV-SYG-f22c749d-7
0.239
SEL-UNI-49ab05bd-3
0.239
MAK-UNK-6ca90168-19
0.235
MAK-UNK-902cc841-18
0.234
MAK-UNK-c74072e5-5
0.231
MAK-UNK-902cc841-14
0.230
SAD-SAT-f0a2747f-3
0.229
JON-UNI-bb9dc649-16
0.228
MAK-UNK-212f693e-5
0.227
MAR-LAB-ff9967db-40
0.227
THO-SYG-98fc3427-7
0.226
MAK-UNK-212f693e-1
0.225
THO-SYG-98fc3427-4
0.223
FAB-NA_-a0010840-3
0.223
DRR-IMP-db50bf6e-1
0.222
DOU-UNK-b5326f8f-9
0.220
FAB-NA_-a0010840-2
0.217
MAK-UNK-6435e6c2-5
0.217
JON-UIO-066ce08b-3
0.217
JON-UNI-bb9dc649-11
0.216
JON-UIO-066ce08b-4
0.216
MAK-UNK-902cc841-13
0.216
JON-UIO-066ce08b-1
0.215
THO-SYG-98fc3427-6
0.214
MAK-UNK-4c6b313a-1
0.213
MAK-UNK-6435e6c2-3
0.213
MAK-UNK-6435e6c2-11
0.213
MAK-UNK-6435e6c2-10
0.213
FAB-NA_-a0010840-1
0.213
MAR-TRE-d0525fbf-97
0.212
BEN-DND-6de5dfa0-10
0.212
ALE-MCD-a1893bfb-1
0.211
MAK-UNK-212f693e-16
0.211
AAR-UNI-c25c2f1e-47
0.211
JON-UNI-bb9dc649-8
0.210
WIL-LEE-23e8b574-3
0.210
PAU-WEI-b9b69149-3
0.209
MAK-UNK-212f693e-14
0.209
MAK-UNK-6435e6c2-6
0.209
JON-UNI-bb9dc649-14
0.208
BEN-VAN-c986b20b-16
0.208
DEM-REL-172c3d60-4
0.208
AAR-POS-0daf6b7e-16
0.207
JON-UNI-bb9dc649-4
0.206
LON-WEI-120e5cf5-5
0.206