Molecular Properties | |
SMILES: | CC(=O)N1CCN(C(C(=O)N(c2ccc(F)cc2)C2C=CS(=O)(=O)C2)c2ccsc2)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-902cc841-5
0.679
AAR-POS-0daf6b7e-8
0.444
MAK-UNK-902cc841-17
0.385
MAK-UNK-902cc841-10
0.380
MAK-UNK-902cc841-8
0.376
MAK-UNK-902cc841-1
0.364
AAR-POS-0daf6b7e-7
0.333
JAR-IMP-ed466bb3-18
0.333
THO-SYG-98fc3427-8
0.330
MAK-UNK-902cc841-4
0.327
MAK-UNK-902cc841-18
0.317
THO-SYG-98fc3427-9
0.311
THO-SYG-98fc3427-2
0.311
THO-SYG-98fc3427-10
0.302
THO-SYG-98fc3427-1
0.301
SEL-UNI-8426c22c-1
0.301
HAN-NEW-5f56c3bc-5
0.297
THO-SYG-98fc3427-11
0.296
MAK-UNK-902cc841-14
0.296
MAK-UNK-752736de-1
0.293
SEL-UNI-49ab05bd-3
0.293
AAR-POS-0daf6b7e-1
0.292
MIH-UNI-6b9ca91a-2
0.286
MAK-UNK-902cc841-13
0.279
MAK-UNK-902cc841-2
0.279
JAN-GHE-4287bd1a-7
0.277
MAK-UNK-6ca90168-19
0.277
MAK-UNK-7c9d1431-15
0.277
MAK-UNK-902cc841-15
0.269
MAK-UNK-212f693e-5
0.267
SAL-INS-1c7a5a55-10
0.264
SAL-INS-1c7a5a55-8
0.262
MAK-UNK-902cc841-9
0.259
VLA-UCB-05e51b3f-2
0.257
NAU-LAT-a5c7d7cb-3
0.257
MAK-UNK-902cc841-7
0.257
ISA-SCH-8e98219b-2
0.255
WIL-LEE-23e8b574-5
0.255
MAK-UNK-6435e6c2-3
0.253
MAK-UNK-6435e6c2-10
0.253
MAK-UNK-6435e6c2-11
0.253
MAK-UNK-4c6b313a-1
0.253
MAK-UNK-212f693e-16
0.250
SEL-UNI-49ab05bd-2
0.250
MAK-UNK-212f693e-1
0.250
NAU-LAT-a5c7d7cb-6
0.248
JAN-GHE-4287bd1a-8
0.248
MAK-UNK-212f693e-14
0.247
YUN-WES-58b0dbae-4
0.246
SAD-SAT-9a6c5cf3-8
0.246
SAL-INS-1c7a5a55-9
0.245
NAU-LAT-a5c7d7cb-5
0.243
SAL-INS-1c7a5a55-7
0.243
DAN-MCD-c163c0bb-1
0.241
MAK-UNK-902cc841-3
0.241
FAB-NA_-a0010840-3
0.240
NIR-THE-590dedc7-1
0.239
MIC-UNK-5a93dd5f-10
0.239
MIC-UNK-6ab519a7-1
0.239
NAU-LAT-a5c7d7cb-2
0.239
DAV-SYG-f22c749d-7
0.238
GIA-UNK-7337c2f3-4
0.235
MAK-UNK-6ca90168-22
0.232
MAR-TRE-d0525fbf-97
0.232
MAK-UNK-212f693e-3
0.232
DAV-SYG-f22c749d-8
0.231
MAK-UNK-212f693e-2
0.231
MAK-UNK-c74072e5-5
0.230
THO-SYG-98fc3427-5
0.228
MAK-UNK-c74072e5-3
0.228
MAK-UNK-e4a48a85-1
0.225
RAF-SAT-b3ff87a1-3
0.223
BEN-DND-6de5dfa0-10
0.222
WAR-XCH-b6889685-57
0.222
THO-SYG-98fc3427-4
0.221
FAB-NA_-a0010840-1
0.220
MAK-UNK-212f693e-17
0.220
PET-SGC-a8a902d9-1
0.217
MAK-UNK-212f693e-4
0.216
MAK-UNK-e4a48a85-2
0.215
MAK-UNK-902cc841-16
0.215
JON-UNI-bb9dc649-11
0.214
THO-SYG-98fc3427-7
0.214
SAD-SAT-f0a2747f-3
0.214
JON-UNI-bb9dc649-16
0.213
THO-SYG-98fc3427-6
0.213
MAK-UNK-902cc841-12
0.212
NJA-MAN-00c90aa2-6
0.212
MAK-UNK-212f693e-35
0.211
DRA-CSI-7ec17797-10
0.210
MAK-UNK-acefcb18-12
0.209
NIR-THE-99f25457-2
0.209
MAT-POS-162a9720-4
0.209
MAK-UNK-6435e6c2-2
0.209
MAK-UNK-b1d4dcd7-6
0.209
MAK-UNK-212f693e-19
0.208
MAK-UNK-212f693e-32
0.208
JAN-GHE-fd8d85a5-10
0.208
KUS-THE-322b9b63-15
0.207
SAD-SAT-2fd372d1-4
0.207