Molecular Properties | |
SMILES: | NS(=O)(=O)c1cc(C(=O)O)c(Br)c(C(=O)N[C@H]2C[C@H]2F)c1 |
MW: | 381.179 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 126.56 |
cLogP: | 0.6349 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Filter9_metal
aryl bromide
AAR-POS-d2a4d1df-15
MED-UNK-7e7dab56-6
0.732
MED-UNK-7e7dab56-4
0.732
MED-UNK-7e7dab56-3
0.700
MED-UNK-7e7dab56-9
0.694
MED-UNK-7e7dab56-2
0.683
MED-UNK-7e7dab56-8
0.683
MED-UNK-7e7dab56-11
0.651
MED-UNK-7e7dab56-5
0.641
MED-UNK-7e7dab56-7
0.641
MED-UNK-7e7dab56-10
0.631
MAR-TRE-4f781e27-87
0.256
MAR-TRE-8190bb11-37
0.250
MAR-TRE-8190bb11-3
0.244
MAR-TRE-8190bb11-12
0.244
MAR-TRE-8190bb11-52
0.241
MAR-TRE-799db12b-5
0.241
LIZ-THE-d3ff4653-1
0.239
MAR-TRE-9d18ae8c-63
0.237
MAR-TRE-66ac689e-32
0.237
WIL-UNI-1faa9b10-13
0.235
WAR-XCH-b6889685-23
0.230
WAR-XCH-b72a1bbc-14
0.229
WIL-UNI-1faa9b10-10
0.226
WIL-UNI-1faa9b10-33
0.226
MAR-TRE-fd17a9b8-100
0.226
MAR-TRE-c317dd82-78
0.226
JON-UIO-82a15e73-6
0.225
MAR-TRE-8190bb11-32
0.225
MAR-TRE-fd17a9b8-42
0.222
WIL-UNI-1faa9b10-24
0.221
WAR-XCH-b6889685-32
0.220
MAT-POS-7dfc56d9-1
0.219
MAR-TRE-a9136c7b-15
0.217
WIL-NOV-649f4ed0-2
0.216
MAR-TRE-8190bb11-45
0.214
MAR-TRE-4f781e27-15
0.214
WIL-UNI-1faa9b10-15
0.213
JON-UIO-82a15e73-7
0.213
JAC-UNI-14c2e728-1
0.213
SAD-SAT-581007d4-6
0.212
WIL-UNI-1faa9b10-42
0.212
MAT-POS-b5746674-77
0.212
JON-UIO-066ce08b-13
0.211
MAR-TRE-fffca54f-97
0.210
WAR-XCH-b6889685-21
0.209
PED-UNI-89deb5c9-1
0.209
LIZ-THE-d3ff4653-2
0.208
SAD-SAT-581007d4-3
0.207
MAR-TRE-a9136c7b-56
0.207
AAR-POS-d2a4d1df-15
0.207
PET-SGC-481b48b7-1
0.207
NAU-LAT-42d4957e-3
0.207
KEI-TRE-d5e2018a-10
0.207
SAD-SAT-1f400d17-4
0.207
EDJ-MED-f073a5ff-4
0.207
MAR-TRE-6a44bbf2-33
0.205
MAR-TRE-e82e6c98-63
0.205
MAR-TRE-fd17a9b8-15
0.205
SAD-SAT-5b1897b2-7
0.205
WAR-XCH-b72a1bbc-5
0.205
MAR-TRE-a9136c7b-3
0.205
SAD-SAT-89668ff1-6
0.205
SAD-SAT-581007d4-10
0.205
MAK-UNK-1cb0e944-9
0.204
RAF-SAT-b3ff87a1-1
0.203
MAR-TRE-92684b97-7
0.202
MAR-TRE-92684b97-34
0.202
RAL-THA-6b94ceba-13
0.202
WIL-NOV-649f4ed0-5
0.202
SAD-SAT-89668ff1-2
0.202
TAM-UNI-c140e31a-13
0.202
JON-UIO-82a15e73-4
0.200
ZAC-MCD-2bc172dc-1
0.200
MAR-TRE-4f781e27-46
0.200
MAR-TRE-92684b97-20
0.200
CHR-SOS-7098f804-15
0.200
MAK-UNK-ec98eaf6-36
0.200
WAR-XCH-b6889685-49
0.200
MAR-TRE-799db12b-56
0.200
WAR-XCH-b6889685-29
0.200
ASH-UNK-40b46b30-10
0.198
MAR-TRE-799db12b-1
0.198
PET-SGC-d0fd10df-1
0.198
WIL-NOV-649f4ed0-1
0.198
NIR-THE-0d6461ce-5
0.198
MAR-TRE-fd17a9b8-47
0.198
JAN-GHE-1d98ec1c-9
0.198
WAR-XCH-b6889685-27
0.198
WAR-XCH-b6889685-44
0.198
MAR-TRE-be9ff7d2-38
0.198
WAR-XCH-b72a1bbc-11
0.197
UNK-CYC-68f84b31-85
0.196
CHR-SOS-e960e883-3
0.196
PET-SGC-83d43576-1
0.196
WAR-XCH-b6889685-48
0.195
MAR-TRE-c317dd82-39
0.195
WAR-XCH-b6889685-26
0.195
MAR-TRE-4f781e27-62
0.195
MAR-TRE-8190bb11-57
0.195
WIL-NOV-649f4ed0-3
0.195