Molecular Properties | |
SMILES: | O=S(=O)(/C=C/c1cccnc1)c1cccc(-c2c(F)cccc2F)c1 |
MW: | 357.381 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 47.03 |
cLogP: | 4.4714 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated double bonds (3)
Filter88_ene_sulfone
AAR-POS-d2a4d1df-11
AGN-NEW-891393a6-8
0.662
AGN-NEW-891393a6-7
0.630
AGN-NEW-891393a6-10
0.623
AGN-NEW-891393a6-9
0.507
AGN-NEW-891393a6-5
0.436
AGN-NEW-891393a6-11
0.417
MAK-UNK-0955449e-29
0.280
MAK-UNK-148caf23-23
0.254
MAK-UNK-de9577cf-9
0.250
MAK-UNK-9a6be56d-24
0.250
NIM-UNI-310206f0-28
0.248
HUB-UNK-9845d277-14
0.240
ALV-UNI-7ff1a6f9-5
0.239
NIM-UNI-310206f0-27
0.238
PEI-IMP-ca0b2813-1
0.238
NIM-UNI-310206f0-62
0.237
MAR-TRE-2fd8122f-2
0.237
MAK-UNK-0955449e-34
0.233
HUB-UNK-9845d277-16
0.231
MAK-UNK-8fdbca50-31
0.230
NAU-LAT-445f63e5-2
0.229
KEI-TRE-d5e2018a-22
0.227
MAR-TRE-2fd8122f-15
0.224
ANT-OPE-a517596a-1
0.223
MAK-UNK-8fdbca50-15
0.223
LON-WEI-5e7d1b3e-2
0.222
CAS-DEP-167c18e3-4
0.222
LON-WEI-4d77710c-2
0.222
MAK-UNK-0955449e-33
0.221
ALV-UNI-7ff1a6f9-11
0.221
NIM-UNI-534877e5-1
0.221
MAK-UNK-148caf23-5
0.220
MAK-UNK-0955449e-30
0.220
ROD-LAS-d5538ff9-7
0.220
VLA-UNK-792b5d03-2
0.220
MAR-TRE-2fd8122f-76
0.219
MAK-UNK-de9577cf-22
0.218
DAR-DIA-fc970077-3
0.218
KEI-TRE-d5e2018a-9
0.218
MAR-TRE-2fd8122f-84
0.218
MAK-UNK-0955449e-32
0.217
KEI-TRE-d5e2018a-43
0.216
JAN-GHE-83b26c96-18
0.216
KEI-TRE-d5e2018a-42
0.215
MAR-TRE-c8530538-44
0.214
BAR-COM-4e090d3a-57
0.214
MAK-UNK-009ebe36-7
0.214
MAT-POS-b5746674-121
0.213
PET-UNK-4dc48bbe-3
0.213
SAD-SAT-f25ee457-7
0.212
RAI-NOV-c18e0037-5
0.212
MAK-UNK-9e4a73aa-35
0.212
MAK-UNK-de9577cf-10
0.212
MAK-UNK-de9577cf-7
0.212
MAK-UNK-de9577cf-14
0.212
MAK-UNK-148caf23-12
0.212
STE-UNK-28609fce-1
0.212
KEI-TRE-d5e2018a-62
0.212
KEI-TRE-d5e2018a-29
0.211
MAK-UNK-9e4a73aa-27
0.211
MAK-UNK-9e4a73aa-24
0.211
MAK-UNK-9e4a73aa-25
0.211
MAK-UNK-9e4a73aa-23
0.211
RAI-NOV-c18e0037-2
0.211
MAK-UNK-9e4a73aa-26
0.211
MAK-UNK-9e4a73aa-22
0.211
KEI-TRE-d5e2018a-25
0.211
MAK-UNK-de9577cf-8
0.210
MAK-UNK-9e4a73aa-18
0.209
CHA-MCP-85291e1d-2
0.209
JIA-UNI-12b1f9ae-1
0.209
MAK-UNK-148caf23-14
0.208
BRU-THA-92256091-14
0.208
MAK-UNK-9e4a73aa-33
0.208
MAK-UNK-de9577cf-15
0.207
PET-UNK-4dc48bbe-7
0.207
MAR-TRE-d0525fbf-90
0.207
MAK-UNK-2c1752f0-3
0.206
NIM-UNI-05f93fcc-6
0.206
AUS-ARG-7cfdce8f-17
0.206
PEI-IMP-ca0b2813-4
0.206
CHR-SOS-7098f804-15
0.206
KEI-TRE-d5e2018a-13
0.206
CHR-SOS-e960e883-1
0.206
CHR-SOS-1f323c23-2
0.206
MAK-UNK-2c1752f0-2
0.205
ANT-DIA-b7f58f21-1
0.205
MAK-UNK-de9577cf-11
0.205
MAK-UNK-9e4a73aa-11
0.204
PET-UNK-94460c07-5
0.204
MAR-TRE-2fd8122f-65
0.204
TAT-ENA-80bfd3e5-49
0.204
BAR-COM-4e090d3a-68
0.204
MAK-UNK-9e4a73aa-34
0.204
CHR-SOS-1f323c23-11
0.204
JAG-UCB-1d922829-1
0.204
MAK-UNK-de9577cf-2
0.204
BRU-THA-92256091-15
0.203
MAK-UNK-de9577cf-12
0.203
MAK-UNK-de9577cf-13
0.203