Molecular Properties | |
SMILES: | CN1CCCc2c(O)cc(S(N)(=O)=O)cc21 |
MW: | 242.07 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 1 |
TPSA: | 83.63 |
cLogP: | 0.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
AAR-POS-d2a4d1df-4
0.417
IND-SYN-8f867502-2
0.328
IND-SYN-058869ff-1
0.323
IND-SYN-8f867502-3
0.323
MAK-UNK-9a6be56d-28
0.308
MAK-UNK-0b1cbb06-3
0.304
MAK-UNK-0b1cbb06-4
0.303
IND-SYN-8f867502-1
0.299
PET-SGC-6a1b02a9-1
0.289
DUN-NEW-f8ce3686-14
0.289
MAK-UNK-0b1cbb06-1
0.287
PET-SGC-abcbce68-1
0.286
PET-SGC-908c18f3-1
0.272
MAK-UNK-0b1cbb06-2
0.271
NAU-LAT-42d4957e-3
0.266
MAK-UNK-0b1cbb06-5
0.264
PET-SGC-c4a91520-1
0.262
NAU-LAT-42d4957e-4
0.259
PET-SGC-616b7348-1
0.259
PET-SGC-05cff2e1-1
0.255
SAD-SAT-5b1897b2-7
0.254
MAR-TRE-6a44bbf2-33
0.254
NAU-LAT-42d4957e-2
0.253
PET-SGC-481b48b7-1
0.250
PAU-UNI-2d648ace-1
0.247
ASH-UNK-40b46b30-18
0.245
HEI-REL-0c990a45-1
0.244
HAR-NEW-e34cb1ae-6
0.244
MED-UNK-7e7dab56-3
0.244
MAK-UNK-53da93bf-3
0.244
NAU-LAT-42d4957e-5
0.242
FRA-DIA-3f9ae552-1
0.240
PAU-UNI-f4334617-1
0.237
MIH-UNI-6b9ca91a-9
0.235
MAR-TRE-4f39ef4a-46
0.235
JAN-GHE-1d98ec1c-10
0.234
TAM-UNI-c140e31a-6
0.233
MAK-UNK-53da93bf-2
0.233
WIL-LEE-23e8b574-7
0.233
MAK-UNK-10799360-30
0.229
TAM-UNI-c140e31a-4
0.229
PET-SGC-59809fea-1
0.229
PET-SGC-210d4c30-1
0.229
WAR-XCH-b6889685-23
0.229
JOK-SYG-6ec557d2-1
0.227
HAR-NEW-e34cb1ae-5
0.227
SAD-SAT-581007d4-6
0.227
HAN-UNI-e165996f-1
0.225
MAK-UNK-10799360-15
0.222
JAR-IMP-ed466bb3-1
0.222
JOK-SYG-ac99ed27-1
0.221
SAD-SAT-581007d4-4
0.221
WIL-WAB-1289c0dd-2
0.220
DAR-DIA-8e329c92-13
0.219
PET-SGC-fc67af9f-1
0.219
LIZ-THE-d3ff4653-1
0.219
MAR-TRE-4f39ef4a-53
0.217
HEI-REL-0c990a45-2
0.217
MAT-POS-7dfc56d9-1
0.217
WAR-XCH-b72a1bbc-18
0.216
WAR-XCH-b6889685-55
0.216
DAR-DIA-5a24bef0-17
0.216
DAR-DIA-5a24bef0-15
0.216
DAR-DIA-5a24bef0-14
0.216
DAR-DIA-5a24bef0-16
0.216
JAR-IMP-ed466bb3-6
0.216
CLI-UNI-032f7715-4
0.215
MAR-TRE-6a44bbf2-46
0.215
MED-UNK-7e7dab56-1
0.213
RAF-POL-950dada1-8
0.212
JAN-GHE-1d98ec1c-1
0.212
TAM-UNI-c140e31a-17
0.212
HEI-REL-0c990a45-4
0.212
WAR-XCH-b6889685-49
0.212
DAV-IMP-59dd6621-9
0.211
WAR-XCH-b72a1bbc-11
0.211
PET-SGC-f913cec9-2
0.211
MED-UNK-7e7dab56-4
0.211
WAR-XCH-b72a1bbc-9
0.209
WAR-XCH-b72a1bbc-14
0.209
ASH-UNK-40b46b30-10
0.209
TAM-UNI-c140e31a-12
0.209
WAR-XCH-b6889685-60
0.209
DAR-DIA-5a24bef0-10
0.208
WAR-XCH-b72a1bbc-10
0.208
DAR-DIA-5a24bef0-7
0.208
PED-UNI-89deb5c9-1
0.207
DAR-DIA-5a24bef0-8
0.207
MAR-TRE-fffca54f-97
0.207
WAR-XCH-b72a1bbc-1
0.206
DAR-DIA-37454fd7-1
0.206
PET-SGC-f913cec9-1
0.206
SAD-SAT-581007d4-3
0.205
MED-UNK-7e7dab56-7
0.205
ASH-SAT-43770c7d-2
0.205
ASH-UNK-40b46b30-14
0.204
SAD-SAT-89668ff1-6
0.202
ALP-POS-cd485364-2
0.202
CHR-UNK-e061132b-1
0.202
CHR-UNK-b46452fc-1
0.202