Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1ccc2nc(N)sc2c1 |
MW: | 271.367 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 85.08 |
cLogP: | 0.9702 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
Hetero_hetero
aminothiazole
ANT-DIA-b7f58f21-7
0.524
MAK-UNK-27459e11-15
0.438
SIM-DEM-5935bd74-2
0.391
ANT-DIA-b7f58f21-1
0.387
PET-SGC-85e821e4-1
0.386
ANT-DIA-b7f58f21-2
0.381
MAK-UNK-27459e11-16
0.371
MAK-UNK-27459e11-10
0.368
MAK-UNK-27459e11-9
0.365
AAR-POS-d2a4d1df-1
0.356
ANT-DIA-b7f58f21-3
0.312
MAK-UNK-8145c7a0-12
0.297
MAK-UNK-27459e11-7
0.294
ANT-DIA-b7f58f21-5
0.292
MAK-UNK-27459e11-8
0.286
MAK-UNK-c44f4be0-4
0.276
MAK-UNK-8145c7a0-11
0.273
ROB-UNI-b2e39629-1
0.267
ANT-DIA-b7f58f21-8
0.267
SIM-DEM-5935bd74-1
0.266
PET-SGC-85e821e4-2
0.266
MAR-UNI-9ca61fdc-1
0.266
BEN-DND-362d364a-9
0.263
SIM-DEM-f31d0e65-1
0.259
MAK-UNK-27459e11-6
0.250
ASH-UNK-40b46b30-6
0.247
PET-SGC-90aed325-1
0.247
BEN-DND-362d364a-6
0.247
SIM-DEM-5935bd74-7
0.244
WAR-XCH-6eb0722e-5
0.242
MAR-TRE-8190bb11-94
0.241
ROB-UNI-b2e39629-3
0.241
MIH-UNI-3396182e-9
0.239
WAR-XCH-6eb0722e-4
0.239
ELE-IMP-dfb36048-5
0.237
MAK-UNK-c44f4be0-14
0.234
MAK-UNK-27459e11-4
0.232
ROB-UNI-b2e39629-2
0.231
ANT-DIA-b7f58f21-9
0.231
VIJ-CYC-1a381570-13
0.230
SEL-UNI-cd366922-9
0.230
ELE-IMP-dfb36048-3
0.228
MAK-UNK-27459e11-13
0.225
SIM-DEM-5935bd74-4
0.225
WAR-XCH-6eb0722e-1
0.223
MAR-UNI-9d4da90d-1
0.222
AAR-POS-dddeddbf-1
0.222
MAK-UNK-27459e11-3
0.222
JOK-SYG-a0b0bf84-1
0.222
PET-SGC-abcbce68-1
0.221
ROB-UNI-b2e39629-9
0.220
MAR-TRE-423310b6-30
0.220
MAK-UNK-27459e11-1
0.219
TRY-UNI-1fd04853-3
0.219
ALP-POS-91609ae9-2
0.218
WAL-WAB-9cbe20c2-1
0.218
MAK-UNK-8145c7a0-10
0.218
ROB-UNI-b2e39629-10
0.217
MAK-UNK-27459e11-2
0.216
WIL-LEE-1f71e281-7
0.215
DUN-NEW-f8ce3686-23
0.215
ROB-UNI-b2e39629-5
0.215
ADA-UNI-f8e79267-8
0.213
JOH-IMS-54aa76a2-4
0.211
MAR-UNI-9d4da90d-2
0.211
AND-WAB-6ed53ced-1
0.209
DUN-NEW-f8ce3686-14
0.209
PET-SGC-d5b502b1-1
0.209
WIL-WAB-6ef46ddb-1
0.209
WAR-XCH-6eb0722e-6
0.208
MAR-TRE-6c5ef77a-39
0.208
MAR-TRE-87acfbcc-44
0.207
CAL-AMP-9edebd8f-1
0.207
ELE-IMP-dfb36048-2
0.207
DUN-NEW-f8ce3686-10
0.207
DAN-RED-da448e80-13
0.207
ELE-IMP-dfb36048-4
0.207
WAR-XCH-6eb0722e-2
0.206
MAR-UNI-9d4da90d-3
0.205
MAK-UNK-07311286-2
0.205
HAN-NEW-5f56c3bc-2
0.205
BEN-DND-362d364a-7
0.204
MAK-UNK-8145c7a0-3
0.204
MAK-UNK-c44f4be0-3
0.204
NAU-LAT-0543f7f2-4
0.204
SEL-UNI-cd366922-2
0.202
TAM-UNI-c140e31a-10
0.202
PET-SGC-f818f65b-1
0.202
ADA-UNI-f8e79267-2
0.202
ROB-UNI-b2e39629-4
0.202
SAM-UNK-903735bd-2
0.202
TAM-UNI-c140e31a-15
0.202
BEN-DND-362d364a-8
0.202
ELE-IMP-dfb36048-1
0.202
SIM-DEM-265738e1-1
0.202
SAM-UNK-83e03154-2
0.202
PET-SGC-0ecb2cfe-1
0.202
NAU-LAT-0543f7f2-2
0.202
SER-UNI-985a0e14-1
0.202
DUN-NEW-f8ce3686-5
0.200