Molecular Properties | |
SMILES: | CC(=O)N1CCC(C(=O)SCF)CC1 |
MW: | 219.281 |
Fraction sp3: | 0.78 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 37.38 |
cLogP: | 1.4317 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
alpha_halo_heteroatom
thioester
thioester
Thiocarboxylic acids and their derivatives
Filter29_thioester
thioester
reactive_carbonyls
AAR-POS-0daf6b7e-2
GIA-UNK-995df016-7
0.667
GIA-UNK-995df016-1
0.651
GIA-UNK-995df016-8
0.651
GIA-UNK-995df016-3
0.643
GIA-UNK-995df016-4
0.614
GIA-UNK-995df016-2
0.609
GIA-UNK-995df016-9
0.609
GIA-UNK-995df016-13
0.587
GIA-UNK-995df016-5
0.562
GIA-UNK-995df016-10
0.519
GIA-UNK-995df016-16
0.509
GIA-UNK-995df016-11
0.500
GIA-UNK-995df016-17
0.500
GIA-UNK-995df016-12
0.491
GIA-UNK-995df016-14
0.482
GIA-UNK-995df016-15
0.474
MAR-TRE-6c5ef77a-34
0.408
AAR-POS-fca48359-5
0.328
DRA-CSI-47e38074-2
0.327
VIK-SYN-bf9c9ac8-3
0.314
DAV-IMP-59dd6621-21
0.314
JON-UNI-bb9dc649-15
0.308
VIK-SYN-9a3d118a-3
0.296
JON-UIO-066ce08b-5
0.288
MAK-UNK-212f693e-16
0.286
MAK-UNK-212f693e-14
0.281
JON-UNI-bb9dc649-5
0.274
VIK-SYN-bf9c9ac8-4
0.268
JON-UNI-bb9dc649-2
0.265
MAK-UNK-750cfbcc-2
0.264
AAR-POS-0daf6b7e-19
0.263
VIR-GIT-7b3d3065-3
0.263
AAR-POS-0daf6b7e-21
0.261
MAK-UNK-750cfbcc-1
0.260
MAK-UNK-212f693e-2
0.254
JON-UNI-bb9dc649-13
0.254
MAR-TRE-be9ff7d2-99
0.253
BEN-VAN-d8fd1356-26
0.253
JON-UNI-bb9dc649-14
0.250
JON-UNI-bb9dc649-19
0.250
LON-WEI-120e5cf5-5
0.250
SAD-SAT-d8079f6f-4
0.250
VIK-SYN-9a3d118a-5
0.250
MAR-TRE-be9ff7d2-88
0.246
MAR-TRE-a3327163-19
0.246
JON-UNI-bb9dc649-9
0.242
JON-UNI-bb9dc649-6
0.239
MAK-UNK-704ed37c-1
0.237
NAU-LAT-3f5f3993-3
0.237
MAK-UNK-750cfbcc-3
0.236
MAR-TRE-6a44bbf2-79
0.236
JON-UNI-bb9dc649-3
0.236
JON-UNI-bb9dc649-8
0.235
NAU-LAT-3f5f3993-2
0.235
MAK-UNK-704ed37c-3
0.233
JAR-IMP-ed466bb3-20
0.232
JON-UNI-bb9dc649-20
0.232
YOI-UNK-15f562e8-5
0.230
MAK-UNK-212f693e-15
0.230
MAK-UNK-750cfbcc-5
0.228
AAR-POS-0daf6b7e-9
0.228
VIR-GIT-7b3d3065-2
0.228
BEN-DND-76ad4ac9-4
0.227
JUL-TUD-06b2044f-114
0.227
BEN-VAN-d8fd1356-25
0.227
DRA-CSI-47e38074-3
0.226
DRA-CSI-47e38074-12
0.226
BEN-VAN-d8fd1356-29
0.225
LON-WEI-120e5cf5-10
0.224
JON-UIO-066ce08b-6
0.224
MAR-TRE-6a44bbf2-66
0.222
MAK-UNK-704ed37c-8
0.222
LON-WEI-120e5cf5-19
0.222
MAK-UNK-750cfbcc-4
0.222
MAK-UNK-704ed37c-16
0.222
BRU-LEF-cf996d6c-1
0.220
ALE-MCD-a1893bfb-1
0.220
YOI-UNK-15f562e8-2
0.219
MAK-UNK-212f693e-19
0.219
WAR-XCH-b0339bbe-18
0.218
GIA-UNK-5ec6c2b8-2
0.218
JOH-UNI-27ac80fd-1
0.217
YOI-UNK-a533afbc-6
0.216
YOI-UNK-12211982-6
0.216
MAK-UNK-212f693e-3
0.215
BEN-VAN-d8fd1356-27
0.215
BEN-VAN-d8fd1356-28
0.215
MAK-UNK-704ed37c-4
0.213
MAK-UNK-704ed37c-5
0.213
WIL-LEE-23e8b574-5
0.212
JON-UNI-bb9dc649-4
0.212
GIA-UNK-a79af1bc-1
0.212
MAK-UNK-6c8f5f75-1
0.212
JON-UNI-57097b3f-3
0.211
HEI-REL-0c990a45-3
0.211
GIA-UNK-5ec6c2b8-5
0.210
MAK-UNK-704ed37c-2
0.210
MAK-UNK-704ed37c-7
0.210
MAK-UNK-6435e6c2-5
0.210
AAR-POS-0daf6b7e-32
0.210