Molecular Properties | |
SMILES: | CC(=O)N1CCN(CS(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 |
MW: | 376.46 |
Fraction sp3: | 0.46 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 129.88 |
cLogP: | -0.802699999999998 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Dye 22
Hetero_hetero
JAN-GHE-1d98ec1c-7
0.549
LON-WEI-b8d98729-4
0.549
JAN-GHE-1d98ec1c-8
0.403
NIM-UNI-02269248-3
0.398
JAN-GHE-1d98ec1c-1
0.380
JAN-GHE-1d98ec1c-10
0.372
JAN-GHE-1d98ec1c-5
0.366
WIL-LEE-23e8b574-7
0.360
JAN-GHE-1d98ec1c-2
0.359
HEI-REL-0c990a45-1
0.357
HEI-REL-0c990a45-2
0.345
JAN-GHE-1d98ec1c-4
0.337
MIH-UNI-e573136b-4
0.337
HEI-REL-0c990a45-4
0.337
NIM-UNI-594fbbb6-3
0.330
NIM-UNI-bb610069-3
0.330
MIH-UNI-6b9ca91a-9
0.330
JAN-GHE-1d98ec1c-6
0.329
PAT-UNK-b2d83456-1
0.329
MAK-UNK-6435e6c2-5
0.329
SAD-SAT-c989feaa-9
0.326
CHR-UNK-e061132b-1
0.322
CHR-UNK-b46452fc-1
0.322
JAN-GHE-1d98ec1c-3
0.321
AND-UNI-23ac02e4-1
0.319
WIL-LEE-23e8b574-4
0.316
MAK-UNK-902cc841-12
0.315
DAR-DIA-fb20be43-9
0.315
WIL-LEE-23e8b574-3
0.309
MAK-UNK-902cc841-11
0.309
JOK-SYG-6ec557d2-1
0.304
PAT-UNK-b2d83456-2
0.304
SEL-UNI-cd366922-7
0.302
WIL-UNI-1faa9b10-16
0.302
WIL-LEE-23e8b574-1
0.297
SAD-SAT-1f400d17-4
0.297
PAT-UNK-b2d83456-3
0.296
SAD-SAT-581007d4-3
0.293
SAD-SAT-581007d4-4
0.293
ISA-SCH-8e98219b-2
0.291
HEI-REL-0c990a45-5
0.289
NIR-THE-0d6461ce-5
0.289
MAK-UNK-6435e6c2-2
0.288
ANT-OPE-7824651a-2
0.287
WIL-UNI-1faa9b10-35
0.287
MAK-UNK-902cc841-13
0.286
MAK-UNK-af83ef51-17
0.283
PAU-UNI-2d648ace-1
0.281
HEI-REL-0c990a45-3
0.281
BEN-VAN-c986b20b-1
0.281
SAD-SAT-89668ff1-2
0.281
KIM-UNI-2ee5d8f9-1
0.280
MAK-UNK-1cb0e944-9
0.280
NAU-LAT-3f5f3993-4
0.279
BEN-DND-03406596-10
0.278
MAR-TRE-6a44bbf2-18
0.278
LON-WEI-8f408cad-4
0.278
AAR-POS-d2a4d1df-23
0.278
MAK-UNK-902cc841-14
0.278
JAN-GHE-fd8d85a5-10
0.277
TAT-ENA-80bfd3e5-43
0.277
MAK-UNK-7c9d1431-11
0.277
MAR-TRE-6a44bbf2-65
0.277
HAR-NEW-e34cb1ae-5
0.277
MAK-UNK-6435e6c2-3
0.274
SWA-SYN-40d44a84-2
0.272
PED-UNI-89deb5c9-1
0.272
DAR-DIA-fb20be43-12
0.272
KIM-UNI-7d12df64-3
0.272
MAK-UNK-0b1cbb06-5
0.272
MAK-UNK-7c9d1431-4
0.271
TAT-ENA-80bfd3e5-25
0.271
CHA-MCP-85291e1d-2
0.271
PEI-IMP-ca0b2813-3
0.271
ALE-MCD-a1893bfb-1
0.270
MAK-UNK-af83ef51-15
0.270
SAD-SAT-89668ff1-4
0.270
JAN-GHE-fd8d85a5-2
0.269
STE-KUL-2e0d2e88-1
0.268
LIZ-THE-d3ff4653-1
0.268
KIM-UNI-7d12df64-2
0.267
MAK-UNK-e4a48a85-1
0.267
MAK-UNK-6435e6c2-6
0.267
AAR-POS-d2a4d1df-24
0.266
WIL-LEE-23e8b574-2
0.266
AHN-SAT-de2502ba-6
0.265
MAR-TRE-6a44bbf2-43
0.265
BEN-DND-6de5dfa0-18
0.265
ISA-SCH-8e98219b-3
0.265
MAK-UNK-53da93bf-5
0.265
ANT-OPE-7824651a-1
0.264
MAR-TRE-fd17a9b8-52
0.264
ALE-MCD-4ac17b19-1
0.264
TAM-UNI-c140e31a-13
0.263
DAN-MCD-5c762fbe-1
0.263
DAN-MCD-50ec7d1f-1
0.263
BEN-DND-6de5dfa0-25
0.262
KIM-UNI-7d12df64-1
0.262
KEN-MCD-6084b33e-1
0.262
CHA-MCP-85291e1d-4
0.261