Molecular Properties | |
SMILES: | NS(=O)(=O)c1cccc(CNCC(O)COc2ccc(F)cc2)c1 |
MW: | 354.1 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 101.65 |
cLogP: | 1.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WIL-UNI-1faa9b10-16
0.341
CHA-MCP-85291e1d-2
0.326
EDJ-MED-e58735b6-3
0.311
WIL-UNI-1faa9b10-15
0.301
CHA-MCP-85291e1d-4
0.300
SAD-SAT-135344c3-10
0.274
MAK-UNK-1cb0e944-9
0.263
SAD-SAT-89668ff1-2
0.250
CHR-SOS-70e4c98a-9
0.248
STU-CHA-91df9a40-1
0.245
WIL-UNI-1faa9b10-35
0.245
SAD-SAT-c989feaa-9
0.243
WAR-XCH-b6889685-18
0.242
WIL-UNI-1faa9b10-49
0.240
CHR-SOS-70e4c98a-7
0.240
ANN-UNI-98d2bf15-5
0.240
CHR-SOS-70e4c98a-12
0.238
MAR-TRE-d0525fbf-68
0.237
FAR-UNI-736b943a-1
0.236
MAK-UNK-de9577cf-10
0.235
WIL-UNI-1faa9b10-29
0.235
MAK-UNK-de9577cf-20
0.235
LIZ-THE-d3ff4653-2
0.235
WIL-UNI-1faa9b10-33
0.234
WIL-UNI-1faa9b10-6
0.232
NAU-LAT-42d4957e-1
0.231
MAK-UNK-de9577cf-9
0.231
LIZ-THE-d3ff4653-1
0.231
CHR-SOS-70e4c98a-4
0.231
CHR-SOS-e960e883-3
0.230
WIL-UNI-1faa9b10-20
0.230
CHA-MCP-85291e1d-6
0.229
AAR-POS-0daf6b7e-36
0.229
MAK-UNK-53da93bf-1
0.229
JOH-UNI-6fede743-5
0.228
MAK-UNK-acefcb18-1
0.227
MAK-UNK-53da93bf-5
0.227
CHR-SOS-1f323c23-8
0.226
YOI-UNK-15f562e8-3
0.225
MAK-UNK-de9577cf-7
0.225
MAK-UNK-de9577cf-6
0.225
ELE-IMP-dfb36048-6
0.225
JAG-UCB-ef2c0e8e-5
0.225
SUG-SAT-4be79373-3
0.223
MAK-UNK-de9577cf-8
0.223
CHR-SOS-e960e883-1
0.221
MAR-LAB-ff9967db-8
0.221
JAN-GHE-1d98ec1c-7
0.221
LON-WEI-b8d98729-4
0.221
WIL-UNI-1faa9b10-42
0.221
JON-UIO-066ce08b-13
0.221
JAS-UNI-326cae60-1
0.220
CHR-SOS-1f323c23-2
0.220
MAR-TRE-4b834d9a-75
0.220
MAR-TRE-9d18ae8c-7
0.220
WIL-UNI-1faa9b10-18
0.220
WIL-UNI-1faa9b10-27
0.220
CHR-SOS-e960e883-6
0.219
CHR-SOS-1f323c23-11
0.219
MAR-TRE-4f781e27-37
0.219
WIL-UNI-1faa9b10-22
0.219
JON-UIO-d28d79fe-4
0.218
NAU-LAT-445f63e5-2
0.218
MAR-TRE-4b834d9a-69
0.218
MAT-POS-b5746674-71
0.218
MAK-UNK-009ebe36-7
0.217
ALP-POS-e980f4ea-67
0.217
MAK-UNK-148caf23-18
0.217
WIL-UNI-1faa9b10-24
0.216
WAR-XCH-b72a1bbc-47
0.214
BAR-COM-0f94fc3d-3
0.214
CHR-SOS-e960e883-2
0.214
SIM-DEM-5935bd74-2
0.213
CHR-SOS-7098f804-17
0.213
MAR-TRE-799db12b-9
0.213
CHR-SOS-1f323c23-5
0.213
WIL-UNI-1faa9b10-5
0.213
WAR-XCH-b72a1bbc-44
0.213
JON-UIO-82a15e73-10
0.213
WIL-UNI-1faa9b10-11
0.212
EDJ-MED-c8e7a002-10
0.212
MAK-UNK-de9577cf-19
0.212
NIM-UNI-b87c0f72-3
0.212
NIM-UNI-b87c0f72-4
0.212
MAR-TRE-3724962b-6
0.211
LIZ-THE-6efed59f-3
0.211
CHR-SOS-e960e883-4
0.211
MAK-UNK-752736de-2
0.211
MAK-UNK-de9577cf-15
0.210
DAN-RED-da448e80-5
0.210
SIM-DEM-5935bd74-4
0.209
MAK-UNK-942dcb71-4
0.208
MAK-UNK-de9577cf-11
0.208
MAK-UNK-942dcb71-3
0.208
JAN-GHE-1d98ec1c-9
0.208
WAR-XCH-b0339bbe-5
0.208
WIL-UNI-1faa9b10-7
0.208
MAK-UNK-69bf97dd-1
0.208
SAD-SAT-f25ee457-1
0.207
MAK-UNK-a7b37c5e-5
0.207