Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1ccc2cc(S(N)(=O)=O)ccc2c1 |
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
PET-SGC-85e821e4-1
0.759
SIM-DEM-5935bd74-4
0.655
PET-SGC-85e821e4-2
0.420
SIM-DEM-5935bd74-1
0.420
MAK-UNK-27459e11-16
0.407
SEL-UNI-cd366922-7
0.405
MAK-UNK-27459e11-10
0.400
SIM-DEM-5935bd74-7
0.397
ANT-DIA-b7f58f21-2
0.393
ANT-DIA-b7f58f21-6
0.391
MAK-UNK-27459e11-15
0.385
MAK-UNK-27459e11-9
0.377
AAR-POS-d2a4d1df-1
0.368
ANT-DIA-b7f58f21-7
0.362
ASH-UNK-40b46b30-6
0.333
ANT-DIA-b7f58f21-1
0.333
JAN-GHE-1d98ec1c-1
0.329
ANT-DIA-b7f58f21-3
0.323
NIR-THE-0d6461ce-4
0.317
SAD-SAT-1f400d17-7
0.313
DUN-NEW-f8ce3686-14
0.308
MAK-UNK-07311286-2
0.307
PET-SGC-abcbce68-1
0.304
BEN-DND-362d364a-9
0.303
MAK-UNK-ec98eaf6-35
0.299
MIH-UNI-6b9ca91a-9
0.298
MAR-TRE-87acfbcc-44
0.293
NIM-UNI-b87c0f72-4
0.290
NIM-UNI-b87c0f72-3
0.290
MAR-TRE-423310b6-30
0.289
LIZ-THE-6efed59f-3
0.286
MAK-UNK-27459e11-7
0.284
SIM-DEM-5935bd74-3
0.282
MAK-UNK-27459e11-8
0.275
MAR-UNI-9ca61fdc-1
0.273
MAR-UCB-195bc32d-36
0.273
NIR-THE-0d6461ce-5
0.271
MAK-UNK-c44f4be0-4
0.268
AAR-POS-0daf6b7e-45
0.266
LIZ-THE-d3ff4653-2
0.265
LIZ-THE-d3ff4653-1
0.262
ANT-DIA-b7f58f21-5
0.262
ROB-UNI-b2e39629-1
0.257
ANT-DIA-b7f58f21-8
0.257
MAK-UNK-ec98eaf6-36
0.256
SAD-SAT-65574d3f-2
0.254
MAR-TRE-6a44bbf2-73
0.254
MAK-UNK-c44f4be0-14
0.253
NAU-LAT-42d4957e-1
0.253
LIZ-THE-6efed59f-2
0.250
SAD-SAT-f25ee457-7
0.250
MAK-UNK-8145c7a0-12
0.247
LIZ-THE-6efed59f-1
0.246
MAT-POS-90fd5f68-29
0.244
WIL-UNI-1faa9b10-27
0.244
ELE-IMP-dfb36048-5
0.243
WAR-XCH-b0339bbe-5
0.241
SAD-SAT-f25ee457-8
0.241
WIL-UNI-1faa9b10-22
0.241
MAK-UNK-8145c7a0-11
0.240
ELE-IMP-dfb36048-4
0.239
PET-SGC-90aed325-1
0.237
BEN-DND-362d364a-6
0.237
ROB-UNI-b2e39629-2
0.237
ANT-OPE-47f3bb65-4
0.234
WAL-WAB-9cbe20c2-1
0.234
ELE-IMP-dfb36048-3
0.233
MIH-UNI-e573136b-12
0.232
TAM-UNI-d1c3dd9f-3
0.232
NIR-THE-c331be7a-5
0.232
MIH-UNI-3396182e-9
0.231
MAT-POS-90fd5f68-11
0.231
SAD-SAT-135344c3-10
0.230
NAU-LAT-42d4957e-6
0.229
WIL-UNI-1faa9b10-33
0.229
SIM-DEM-5935bd74-5
0.229
MAK-UNK-27459e11-3
0.229
JOK-SYG-a0b0bf84-1
0.228
MAT-POS-b5746674-58
0.227
TAM-UNI-d1c3dd9f-6
0.227
MAK-UNK-69bf97dd-4
0.226
LIZ-THE-57c545eb-1
0.226
MAK-UNK-27459e11-1
0.225
MAK-UNK-07311286-1
0.225
WAL-WAB-c1441da0-1
0.224
MAR-TRE-0fda4e82-41
0.224
SAD-SAT-5b1897b2-7
0.224
MAR-TRE-6a44bbf2-33
0.224
PET-SGC-6062269a-1
0.224
MAK-UNK-194150d3-1
0.224
JAN-GHE-1d98ec1c-5
0.224
ANT-DIA-b7f58f21-9
0.222
MAT-POS-7dfc56d9-1
0.222
MAK-UNK-27459e11-2
0.222
AMI-CSI-2ea5bed6-10
0.221
WIL-LEE-23e8b574-7
0.221
MAK-UNK-0b1cbb06-3
0.221
MAK-UNK-27459e11-4
0.221
MAK-UNK-1cb0e944-9
0.220
WAR-XCH-6eb0722e-5
0.220