Molecular Properties | |
SMILES: | CN1CCS(=O)(=O)c2ccc(S(N)(=O)=O)cc21 |
MW: | 276.339 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 97.54 |
cLogP: | -0.442499999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
AAR-POS-d2a4d1df-4
IND-SYN-8f867502-2
0.410
IND-SYN-058869ff-1
0.403
IND-SYN-8f867502-3
0.403
AAR-POS-d2a4d1df-4
0.387
MAK-UNK-0b1cbb06-5
0.333
DUN-NEW-f8ce3686-14
0.303
MAK-UNK-0b1cbb06-3
0.300
MAK-UNK-0b1cbb06-4
0.299
JAC-UNI-14c2e728-1
0.299
ASH-UNK-40b46b30-18
0.297
PET-SGC-6a1b02a9-1
0.286
HAR-NEW-e34cb1ae-5
0.282
JOK-SYG-6ec557d2-1
0.282
PET-SGC-abcbce68-1
0.282
FRA-DIA-3f9ae552-1
0.276
PET-SGC-c4a91520-1
0.274
HAR-NEW-e34cb1ae-6
0.272
HEI-REL-0c990a45-1
0.272
NAU-LAT-42d4957e-4
0.272
MAR-TRE-6a44bbf2-33
0.268
SAD-SAT-5b1897b2-7
0.268
NAU-LAT-42d4957e-2
0.264
PET-SGC-481b48b7-1
0.263
SIM-DEM-5935bd74-7
0.260
ASH-SAT-43770c7d-2
0.259
PAU-UNI-2d648ace-1
0.258
PET-SGC-616b7348-1
0.256
PET-SGC-908c18f3-1
0.253
PET-SGC-05cff2e1-1
0.253
IND-SYN-a2b2ab0e-2
0.250
IND-SYN-830dcead-1
0.250
IND-SYN-5e5c1c3e-1
0.250
WAR-XCH-b72a1bbc-39
0.250
HEI-REL-0c990a45-6
0.247
JOK-SYG-ac99ed27-1
0.247
PED-UNI-89deb5c9-1
0.247
NAU-LAT-42d4957e-3
0.247
WAR-XCH-b6889685-15
0.244
WAR-XCH-b6889685-23
0.243
WAR-XCH-b72a1bbc-9
0.242
WAR-XCH-b72a1bbc-1
0.242
WAR-XCH-b6889685-58
0.241
MAK-UNK-0b1cbb06-2
0.239
MAK-UNK-0b1cbb06-1
0.238
ASH-UNK-40b46b30-14
0.238
SAD-SAT-cefd50cc-8
0.236
PAU-UNI-f4334617-1
0.235
LIZ-THE-d3ff4653-1
0.234
MAK-UNK-69bf97dd-4
0.233
DAR-DIA-fb20be43-12
0.233
LIZ-THE-6efed59f-3
0.232
WAR-XCH-b6889685-53
0.232
SEL-UNI-cd366922-7
0.232
JAN-GHE-1d98ec1c-5
0.232
WIL-LEE-23e8b574-7
0.230
WAR-XCH-b72a1bbc-49
0.230
MAK-UNK-53da93bf-5
0.230
HEI-REL-0c990a45-2
0.229
WAR-XCH-b6889685-54
0.229
NAU-LAT-42d4957e-5
0.228
STU-CHA-83dacf15-1
0.227
CHR-UNK-e061132b-1
0.227
CHR-UNK-b46452fc-1
0.227
MAK-UNK-10799360-30
0.227
PET-SGC-210d4c30-1
0.226
HAR-NEW-e34cb1ae-4
0.225
WAR-XCH-b72a1bbc-11
0.225
WAR-XCH-b72a1bbc-23
0.225
JAN-GHE-1d98ec1c-1
0.225
WAR-XCH-b72a1bbc-37
0.225
SAD-SAT-cefd50cc-9
0.225
WAR-XCH-b72a1bbc-14
0.224
SAD-SAT-581007d4-6
0.224
MIH-UNI-e573136b-4
0.224
HEI-REL-0c990a45-4
0.224
JAN-GHE-1d98ec1c-7
0.222
LON-WEI-b8d98729-4
0.222
WAR-XCH-b72a1bbc-10
0.222
NIM-UNI-594fbbb6-3
0.222
AAR-POS-d2a4d1df-15
0.222
NIM-UNI-bb610069-3
0.222
NIM-UNI-02269248-3
0.221
NIR-THE-0d6461ce-4
0.221
NIR-THE-0d6461ce-5
0.221
LIZ-THE-d3ff4653-2
0.221
MAK-UNK-10799360-15
0.220
STU-CHA-7e77017b-1
0.220
SAD-SAT-c989feaa-9
0.220
PET-SGC-481b48b7-2
0.220
WAR-XCH-b6889685-20
0.219
WAR-XCH-b72a1bbc-15
0.219
STE-NAN-bafe64f0-1
0.219
DAR-DIA-fb20be43-9
0.218
SAD-SAT-581007d4-4
0.218
SAD-SAT-581007d4-3
0.218
WAR-XCH-b72a1bbc-17
0.218
WIL-WAB-1289c0dd-2
0.218
TAM-UNI-c140e31a-6
0.217
LIZ-THE-57c545eb-1
0.217
LIZ-THE-6efed59f-1
0.217