Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1ccc2ncsc2c1 |
MW: | 256.352 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 59.06 |
cLogP: | 1.388 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ANT-DIA-b7f58f21-6
0.524
MAK-UNK-27459e11-15
0.429
ANT-DIA-b7f58f21-2
0.393
MAK-UNK-27459e11-9
0.377
ANT-DIA-b7f58f21-1
0.377
AAR-POS-d2a4d1df-1
0.368
SIM-DEM-5935bd74-2
0.362
MAK-UNK-27459e11-16
0.361
MAK-UNK-27459e11-10
0.358
PET-SGC-85e821e4-1
0.357
ANT-DIA-b7f58f21-5
0.344
ANT-DIA-b7f58f21-3
0.323
MAK-UNK-c44f4be0-4
0.309
ROB-UNI-b2e39629-1
0.292
ANT-DIA-b7f58f21-8
0.292
MAR-UNI-9ca61fdc-1
0.289
BEN-DND-362d364a-6
0.288
PET-SGC-90aed325-1
0.288
MAK-UNK-27459e11-7
0.284
ALP-POS-ced8ea4d-24
0.279
WIL-UNI-d4749f31-16
0.277
MAK-UNK-27459e11-8
0.275
WIL-UNI-2a57d06c-29
0.275
ALP-POS-e980f4ea-24
0.273
BRU-THA-92256091-51
0.270
MAK-UNK-8145c7a0-11
0.265
MAK-UNK-8145c7a0-12
0.261
ELE-IMP-dfb36048-5
0.260
LON-WEI-b8d98729-31
0.258
SIM-DEM-5935bd74-1
0.256
PET-SGC-85e821e4-2
0.256
ROB-UNI-b2e39629-2
0.253
BEN-DND-362d364a-9
0.253
ROB-UNI-b2e39629-9
0.253
MAK-UNK-c44f4be0-14
0.253
ROB-UNI-b2e39629-10
0.250
ANT-DIA-b7f58f21-9
0.250
WAR-XCH-6eb0722e-5
0.247
ELE-IMP-dfb36048-3
0.247
ROB-UNI-b2e39629-3
0.247
MAR-UNI-9d4da90d-1
0.246
WIL-UNI-2a57d06c-17
0.242
CAL-AMP-9edebd8f-1
0.241
ELE-IMP-dfb36048-2
0.241
DUN-NEW-f8ce3686-10
0.241
ASH-UNK-40b46b30-6
0.238
HAN-NEW-5f56c3bc-2
0.238
TRY-UNI-1fd04853-3
0.237
LON-WEI-b8d98729-38
0.236
BEN-DND-362d364a-7
0.236
LON-WEI-b8d98729-25
0.236
PET-SGC-f818f65b-1
0.235
ROB-UNI-b2e39629-4
0.235
SIM-DEM-f31d0e65-1
0.235
SAM-UNK-903735bd-2
0.235
TAM-UNI-c140e31a-15
0.235
BEN-DND-362d364a-8
0.235
ELE-IMP-dfb36048-1
0.235
SIM-DEM-265738e1-1
0.235
PET-SGC-0ecb2cfe-1
0.233
MAR-UNI-9d4da90d-2
0.233
ALP-POS-ced8ea4d-36
0.233
MAK-UNK-c44f4be0-3
0.232
WAR-XCH-6eb0722e-4
0.231
WAR-XCH-6eb0722e-1
0.228
LON-WEI-b8d98729-48
0.227
ALP-POS-e980f4ea-36
0.226
WAR-XCH-6eb0722e-6
0.226
LON-WEI-b8d98729-1
0.225
ELE-IMP-dfb36048-4
0.225
BRU-THA-92256091-52
0.224
MAK-UNK-27459e11-6
0.222
MAK-UNK-27459e11-2
0.222
MAK-UNK-8145c7a0-10
0.222
LON-WEI-b8d98729-9
0.221
SAM-UNK-83e03154-2
0.220
ROB-UNI-b2e39629-5
0.220
WAR-XCH-6eb0722e-3
0.219
SIM-DEM-5935bd74-7
0.218
SER-UNI-985a0e14-1
0.218
PET-SGC-a9e9d4f4-1
0.218
LON-WEI-b8d98729-44
0.217
SCO-VAN-260d9628-4
0.215
AND-WAB-6ed53ced-1
0.214
MAR-TRE-87acfbcc-44
0.212
JOK-SYG-a0b0bf84-1
0.212
NAU-LAT-f723e322-3
0.212
PET-SGC-abcbce68-1
0.212
MAR-UNI-9d4da90d-3
0.211
WAR-XCH-6eb0722e-2
0.211
MAR-TRE-423310b6-30
0.210
MAK-UNK-07311286-2
0.210
DAN-RED-da448e80-19
0.208
DAN-RED-da448e80-20
0.208
NAU-LAT-0543f7f2-4
0.208
IND-SYN-8bc6954a-2
0.208
SHR-UNK-cde60afe-1
0.208
SEL-UNI-cd366922-9
0.207
GAB-REV-df64cf17-22
0.207
DUN-NEW-f8ce3686-23
0.207