Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1cccc2cc(S(N)(=O)=O)ccc12 |
MW: | 328.415 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 106.33 |
cLogP: | 0.5789 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-SGC-85e821e4-2
1.000
SIM-DEM-5935bd74-3
0.677
DAR-DIA-fb20be43-9
0.430
ASH-UNK-40b46b30-6
0.421
SIM-DEM-5935bd74-2
0.420
PET-SGC-85e821e4-1
0.414
ANT-DIA-b7f58f21-3
0.387
MAK-UNK-27459e11-7
0.385
ELE-IMP-dfb36048-5
0.371
SIM-DEM-5935bd74-7
0.356
MAK-UNK-27459e11-8
0.353
MAK-UNK-27459e11-10
0.338
AMI-CSI-2ea5bed6-9
0.337
ANT-DIA-b7f58f21-8
0.329
ROB-UNI-b2e39629-1
0.329
DUN-NEW-f8ce3686-10
0.321
ELE-IMP-dfb36048-2
0.321
CAL-AMP-9edebd8f-1
0.321
BEN-DND-362d364a-9
0.321
MAK-UNK-27459e11-9
0.313
ANT-DIA-b7f58f21-2
0.309
DUN-NEW-f8ce3686-4
0.309
MAR-UNI-9ca61fdc-1
0.308
ROB-UNI-b2e39629-2
0.307
MAK-UNK-27459e11-15
0.306
MAT-POS-90fd5f68-11
0.303
AAR-POS-d2a4d1df-1
0.302
DUN-NEW-f8ce3686-14
0.293
KEI-UNI-85a52787-2
0.291
PET-SGC-90aed325-1
0.289
JOH-MSK-ec639444-3
0.289
BEN-DND-362d364a-6
0.289
KEI-UNI-85a52787-3
0.286
DAR-DIA-fb20be43-12
0.284
ELE-IMP-dfb36048-4
0.284
SIM-DEM-f31d0e65-1
0.282
SIM-DEM-5935bd74-4
0.282
ROB-UNI-b2e39629-3
0.280
MAK-UNK-27459e11-16
0.279
ELE-IMP-dfb36048-3
0.278
JAN-GHE-6413aaf8-7
0.277
PET-SGC-6062269a-1
0.276
MIH-UNI-e573136b-4
0.276
ANT-DIA-b7f58f21-1
0.275
MAK-UNK-07311286-2
0.275
WAR-XCH-6eb0722e-4
0.275
PET-SGC-abcbce68-1
0.274
KEI-UNI-85a52787-1
0.271
HAN-NEW-5f56c3bc-2
0.271
ROB-UNI-b2e39629-9
0.270
DAR-DIA-3e9bbd81-9
0.268
LIZ-THE-d3ff4653-2
0.268
ROB-UNI-b2e39629-4
0.267
PET-SGC-f818f65b-1
0.267
BEN-DND-362d364a-8
0.267
SAM-UNK-903735bd-2
0.267
SIM-DEM-265738e1-1
0.267
ELE-IMP-dfb36048-1
0.267
TAM-UNI-c140e31a-15
0.267
DAR-DIA-8e329c92-9
0.267
ROB-UNI-b2e39629-10
0.267
DAR-DIA-3e9bbd81-10
0.266
ANT-DIA-b7f58f21-6
0.266
ANT-DIA-b7f58f21-5
0.265
AAR-UNI-c25c2f1e-99
0.264
WAR-XCH-6eb0722e-5
0.264
SAM-UNK-83e03154-2
0.264
WIL-UNI-1faa9b10-27
0.263
MAT-POS-90fd5f68-29
0.261
MAK-UNK-bae89c02-3
0.261
NAU-LAT-0543f7f2-4
0.260
WIL-UNI-1faa9b10-22
0.259
WAR-XCH-6eb0722e-1
0.258
MIC-UNK-4fbd4db9-5
0.257
ANT-DIA-b7f58f21-7
0.256
DUN-NEW-f8ce3686-5
0.255
NIM-UNI-7ba87d62-1
0.255
ANT-OPE-47f3bb65-4
0.253
ANT-DIA-b7f58f21-9
0.253
WAL-WAB-c1441da0-1
0.250
ROB-UNI-b2e39629-5
0.250
JAN-GHE-1d98ec1c-1
0.250
SER-UNI-985a0e14-1
0.245
MAK-UNK-53da93bf-5
0.242
MAK-UNK-69bf97dd-4
0.242
MAD-FNM-74857450-1
0.242
TRY-UNI-1fd04853-3
0.240
SAD-SAT-f25ee457-7
0.239
PET-SGC-0ecb2cfe-1
0.237
MAK-UNK-c44f4be0-3
0.235
SHR-UNK-cde60afe-1
0.234
HEI-REL-0c990a45-4
0.233
MAK-UNK-27459e11-3
0.233
SCO-VAN-260d9628-4
0.232
MAK-UNK-ec98eaf6-36
0.232
NIR-THE-0d6461ce-4
0.231
PET-SGC-d0fd10df-1
0.229
LIZ-THE-d3ff4653-1
0.229
DAR-DIA-caba39e3-10
0.229
MIH-UNI-6b9ca91a-9
0.228