Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1ccc2ccc(S(N)(=O)=O)cc2c1 |
MW: | 328.415 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 106.33 |
cLogP: | 0.578900000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
SIM-DEM-5935bd74-2
0.759
SIM-DEM-5935bd74-4
0.492
JAN-GHE-1d98ec1c-1
0.437
NIR-THE-0d6461ce-4
0.416
SIM-DEM-5935bd74-1
0.414
PET-SGC-85e821e4-2
0.414
SIM-DEM-5935bd74-7
0.412
MIH-UNI-6b9ca91a-9
0.392
MAK-UNK-ec98eaf6-35
0.390
ANT-DIA-b7f58f21-2
0.387
ANT-DIA-b7f58f21-6
0.386
MAK-UNK-27459e11-15
0.379
MAK-UNK-27459e11-16
0.377
MAK-UNK-27459e11-10
0.373
MAK-UNK-27459e11-9
0.371
AAR-POS-d2a4d1df-1
0.362
ANT-DIA-b7f58f21-7
0.357
NIM-UNI-b87c0f72-3
0.354
NIM-UNI-b87c0f72-4
0.354
NIR-THE-0d6461ce-5
0.346
ASH-UNK-40b46b30-6
0.329
ANT-DIA-b7f58f21-1
0.328
MAK-UNK-ec98eaf6-36
0.326
ANT-DIA-b7f58f21-3
0.317
SAD-SAT-f25ee457-8
0.316
SEL-UNI-cd366922-7
0.312
DUN-NEW-f8ce3686-14
0.304
MAK-UNK-07311286-2
0.303
PET-SGC-abcbce68-1
0.300
TAM-UNI-d1c3dd9f-6
0.298
AMI-CSI-2ea5bed6-10
0.293
SAD-SAT-1f400d17-7
0.290
MAR-TRE-423310b6-30
0.286
NIR-THE-c331be7a-5
0.283
MIH-UNI-e573136b-12
0.283
TAM-UNI-d1c3dd9f-3
0.283
BEN-DND-362d364a-9
0.282
MAK-UNK-27459e11-7
0.279
SIM-DEM-5935bd74-3
0.278
MAK-UNK-10799360-17
0.278
MAR-TRE-87acfbcc-44
0.273
MAK-UNK-27459e11-8
0.271
MAK-UNK-c44f4be0-4
0.265
AAR-POS-0daf6b7e-45
0.262
LIZ-THE-6efed59f-3
0.259
ANT-DIA-b7f58f21-5
0.258
ANT-DIA-b7f58f21-8
0.253
ROB-UNI-b2e39629-1
0.253
MAR-UNI-9ca61fdc-1
0.253
WAR-XCH-b0339bbe-5
0.253
SAD-SAT-65574d3f-2
0.250
MAR-TRE-6a44bbf2-73
0.250
MAK-UNK-c44f4be0-14
0.250
MAK-UNK-8145c7a0-12
0.245
LIZ-THE-d3ff4653-2
0.243
MAT-POS-90fd5f68-29
0.242
WIL-UNI-1faa9b10-27
0.241
ELE-IMP-dfb36048-5
0.240
LIZ-THE-d3ff4653-1
0.239
MAT-POS-7dfc56d9-1
0.238
WIL-UNI-1faa9b10-22
0.238
MAK-UNK-8145c7a0-11
0.238
MAK-UNK-07311286-1
0.237
NAU-LAT-42d4957e-1
0.237
ROB-UNI-b2e39629-2
0.234
BEN-DND-362d364a-6
0.234
PET-SGC-90aed325-1
0.234
SAD-SAT-f25ee457-7
0.233
WAL-WAB-9cbe20c2-1
0.231
ELE-IMP-dfb36048-3
0.231
ANT-OPE-47f3bb65-4
0.231
MAK-UNK-1cb0e944-9
0.231
TAM-UNI-d1c3dd9f-22
0.229
MAK-UNK-0b1cbb06-2
0.228
MAT-POS-90fd5f68-11
0.228
MIH-UNI-3396182e-9
0.228
AAR-POS-d2a4d1df-15
0.228
SAD-SAT-135344c3-10
0.227
LIZ-THE-6efed59f-2
0.227
WIL-UNI-1faa9b10-33
0.226
NAU-LAT-42d4957e-6
0.226
MAK-UNK-27459e11-3
0.225
JOK-SYG-a0b0bf84-1
0.225
MAK-UNK-69bf97dd-4
0.223
LIZ-THE-57c545eb-1
0.222
MAK-UNK-27459e11-1
0.222
LIZ-THE-6efed59f-1
0.222
WAL-WAB-c1441da0-1
0.222
MAK-UNK-194150d3-1
0.221
JAN-GHE-1d98ec1c-5
0.221
MAR-TRE-6a44bbf2-33
0.221
PET-SGC-6062269a-1
0.221
SAD-SAT-5b1897b2-7
0.221
ROB-UNI-b2e39629-10
0.220
ANT-DIA-b7f58f21-9
0.220
MAR-TRE-f5c2d31c-72
0.220
MAK-UNK-27459e11-6
0.219
MAK-UNK-27459e11-2
0.219
MAK-UNK-0b1cbb06-3
0.218
WIL-LEE-23e8b574-7
0.218