Molecular Properties | |
SMILES: | COC(=O)c1ccc(S(N)(=O)=O)cc1C |
MW: | 229.257 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 86.46 |
cLogP: | 0.42902 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-1617051 |
Mcule: | MCULE-3295973514 |
Ester
LIZ-THE-d3ff4653-2
0.542
MAT-POS-7dfc56d9-1
0.477
PET-SGC-d0fd10df-1
0.378
AND-UNI-23ac02e4-1
0.333
LIZ-THE-6efed59f-3
0.333
PED-UNI-292b67d6-1
0.310
AAR-POS-0daf6b7e-45
0.302
MAR-TRE-f5c2d31c-72
0.299
SAN-PRS-c955de36-1
0.298
PET-SGC-83d43576-1
0.293
SIM-DEM-5935bd74-4
0.292
GAB-REV-70cc3ca5-20
0.284
LIZ-THE-6efed59f-2
0.283
LIZ-THE-6efed59f-1
0.280
WIL-UNI-1faa9b10-16
0.278
EDJ-MED-e58735b6-3
0.278
CHR-SOS-1f323c23-12
0.276
CHR-SOS-1f323c23-11
0.275
MAR-TRE-ebcc4ad6-38
0.271
CHR-SOS-1f323c23-9
0.269
MAK-UNK-53da93bf-5
0.269
CHR-SOS-1f323c23-8
0.268
JAN-GHE-1d98ec1c-9
0.268
AAR-POS-d2a4d1df-15
0.267
CHR-SOS-1f323c23-5
0.265
ANG-FNM-4baa7e20-1
0.265
WIL-UNI-1faa9b10-22
0.264
MAR-TRE-6a44bbf2-73
0.263
SAD-SAT-65574d3f-2
0.263
SIM-DEM-5935bd74-2
0.262
ASH-UNK-40b46b30-6
0.260
MED-UNK-7e7dab56-7
0.260
WIL-UNI-1faa9b10-13
0.260
GAB-REV-70cc3ca5-3
0.260
ASH-UNK-40b46b30-10
0.259
CHR-SOS-e960e883-6
0.259
CHR-SOS-1f323c23-3
0.259
CHR-SOS-1f323c23-2
0.259
MAK-UNK-6435e6c2-7
0.259
AAR-POS-0daf6b7e-31
0.259
WAR-XCH-b72a1bbc-9
0.259
MAK-UNK-0b1cbb06-5
0.258
MAR-TRE-799db12b-10
0.257
SIM-DEM-5935bd74-3
0.257
MIH-UNI-6b9ca91a-3
0.256
LIZ-THE-57c545eb-1
0.255
WAR-XCH-b72a1bbc-4
0.254
JON-UIO-066ce08b-13
0.254
DAV-AUT-7eb4e0c3-3
0.254
MED-UNK-7e7dab56-4
0.254
RAL-THA-6b94ceba-13
0.253
CHR-SOS-e960e883-5
0.253
MAR-TRE-66ac689e-63
0.250
MAT-POS-b5746674-77
0.250
WIL-UNI-1faa9b10-33
0.250
CHR-SOS-e960e883-4
0.247
SAD-SAT-5b1897b2-7
0.246
PET-SGC-6062269a-1
0.246
MAR-TRE-6a44bbf2-33
0.246
WIL-NOV-649f4ed0-4
0.246
SAD-SAT-1f400d17-7
0.246
IND-SYN-5e5c1c3e-1
0.246
IND-SYN-830dcead-1
0.246
IND-SYN-a2b2ab0e-2
0.246
LOR-NEU-c8f11034-6
0.246
NAU-LAT-42d4957e-1
0.244
MAR-TRE-1c920f6f-95
0.244
WAR-XCH-b6889685-30
0.243
EDJ-MED-8698005e-1
0.243
JAN-GHE-1d98ec1c-10
0.243
TAT-ENA-80bfd3e5-24
0.242
AAR-POS-d2a4d1df-4
0.242
IND-SYN-8f867502-2
0.242
LOR-NOR-30067bb9-15
0.242
WIL-UNI-1faa9b10-49
0.241
SAD-SAT-f25ee457-7
0.241
HEI-REL-0c990a45-2
0.240
MED-UNK-7e7dab56-2
0.239
MED-UNK-7e7dab56-8
0.239
CHA-MCP-85291e1d-2
0.239
MED-UNK-7e7dab56-1
0.239
SIM-DEM-5935bd74-7
0.239
PET-SGC-85e821e4-1
0.239
CHR-SOS-363cfb78-6
0.239
IND-SYN-8f867502-3
0.238
IND-SYN-058869ff-1
0.238
JON-UIO-82a15e73-7
0.238
WAR-XCH-b72a1bbc-23
0.238
WAR-XCH-b6889685-23
0.238
CHR-SOS-363cfb78-8
0.238
SAD-SAT-89668ff1-2
0.237
EDJ-MED-f073a5ff-2
0.236
MED-UNK-7e7dab56-3
0.236
JAN-GHE-1d98ec1c-1
0.236
PET-SGC-05cff2e1-1
0.236
MED-UNK-7e7dab56-6
0.235
MAR-TRE-a3327163-68
0.235
MAK-UNK-0b1cbb06-2
0.235
IND-SYN-8f867502-1
0.234
MAR-UCB-195bc32d-36
0.234