Molecular Properties | |
SMILES: | COc1[o+]cc(CCNS(C)(=O)=O)c2cc(S(N)(=O)=O)ccc12 |
MW: | 361.05 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 126.86 |
cLogP: | 0.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
oxonium
charged oxygen or sulfur atoms
Filter14_thio_oxopyrylium_salt
Hetero_hetero
Pyrylium
SIM-DEM-5935bd74-1
0.421
PET-SGC-85e821e4-2
0.421
SIM-DEM-5935bd74-2
0.333
PET-SGC-85e821e4-1
0.329
MAR-UNI-9ca61fdc-1
0.317
MAK-UNK-27459e11-7
0.315
ANT-DIA-b7f58f21-3
0.314
MAK-UNK-27459e11-8
0.307
BEN-DND-362d364a-9
0.298
LIZ-THE-d3ff4653-2
0.297
SIM-DEM-5935bd74-7
0.296
SIM-DEM-5935bd74-3
0.294
ANT-DIA-b7f58f21-8
0.287
ROB-UNI-b2e39629-1
0.287
PET-SGC-abcbce68-1
0.284
PET-SGC-90aed325-1
0.284
BEN-DND-362d364a-6
0.284
ANT-OPE-47f3bb65-4
0.280
ELE-IMP-dfb36048-5
0.275
DUN-NEW-f8ce3686-14
0.273
PET-SGC-6062269a-1
0.272
MAK-UNK-27459e11-9
0.270
ROB-UNI-b2e39629-2
0.268
SAD-SAT-f25ee457-2
0.263
MAK-UNK-27459e11-10
0.263
LIZ-THE-d3ff4653-1
0.260
AAR-POS-d2a4d1df-1
0.257
MAK-UNK-27459e11-16
0.257
DUN-NEW-f8ce3686-10
0.256
ELE-IMP-dfb36048-2
0.256
CAL-AMP-9edebd8f-1
0.256
HAN-NEW-5f56c3bc-2
0.253
ROB-UNI-b2e39629-9
0.253
TAM-UNI-c140e31a-15
0.250
BEN-DND-362d364a-8
0.250
ROB-UNI-b2e39629-10
0.250
SAM-UNK-903735bd-2
0.250
SIM-DEM-265738e1-1
0.250
PET-SGC-f818f65b-1
0.250
ROB-UNI-b2e39629-4
0.250
ANT-DIA-b7f58f21-2
0.250
ELE-IMP-dfb36048-1
0.250
MAK-UNK-27459e11-15
0.250
AND-UNI-23ac02e4-1
0.248
SAM-UNK-83e03154-2
0.247
ROB-UNI-b2e39629-3
0.247
ANT-DIA-b7f58f21-6
0.247
WAR-XCH-6eb0722e-4
0.245
MAT-POS-90fd5f68-11
0.245
MAT-POS-90fd5f68-29
0.245
ANT-DIA-b7f58f21-5
0.243
MAT-POS-7dfc56d9-1
0.243
LIZ-THE-6efed59f-3
0.242
SCO-VAN-260d9628-4
0.242
WIL-UNI-1faa9b10-22
0.242
MAK-UNK-07311286-2
0.241
PET-SGC-d0fd10df-1
0.240
ANT-DIA-b7f58f21-7
0.238
ANT-DIA-b7f58f21-9
0.237
BEN-DND-362d364a-7
0.237
ANT-DIA-b7f58f21-1
0.237
KEI-UNI-85a52787-3
0.237
SIM-DEM-f31d0e65-1
0.237
PET-SGC-0ecb2cfe-1
0.235
ROB-UNI-b2e39629-5
0.235
ELE-IMP-dfb36048-3
0.235
LIZ-THE-6efed59f-2
0.233
SIM-DEM-5935bd74-4
0.233
KEI-UNI-85a52787-2
0.230
WIL-UNI-1faa9b10-27
0.230
ELE-IMP-dfb36048-4
0.227
KEI-UNI-85a52787-1
0.224
WAR-XCH-6eb0722e-5
0.222
NAU-LAT-0543f7f2-4
0.222
SHR-UNK-cde60afe-1
0.221
NIM-UNI-7ba87d62-1
0.219
WAR-XCH-6eb0722e-1
0.218
NAU-LAT-42d4957e-6
0.217
ALF-EVA-82cf4849-8
0.217
DUN-NEW-f8ce3686-4
0.217
WAL-WAB-c1441da0-1
0.216
TRY-UNI-1fd04853-3
0.214
AAR-POS-0daf6b7e-45
0.213
SAD-SAT-f25ee457-7
0.212
JAN-GHE-6413aaf8-7
0.212
LIZ-THE-6efed59f-1
0.211
WIL-LEE-364b6ea8-13
0.211
JOH-MSK-a63bdd1d-2
0.211
JOH-MSK-ec639444-3
0.209
SER-UNI-985a0e14-1
0.209
MIC-UNK-4fbd4db9-5
0.209
DUN-NEW-f8ce3686-5
0.207
MAK-UNK-0b1cbb06-5
0.207
HEI-REL-0c990a45-4
0.206
MIH-UNI-e573136b-4
0.206
DAR-DIA-caba39e3-10
0.205
MAR-TRE-6a44bbf2-73
0.205
SAD-SAT-65574d3f-2
0.205
MAR-UNI-9d4da90d-2
0.205
WAR-XCH-b72a1bbc-23
0.205