Molecular Properties | |
SMILES: | CC(=O)N1CCN(CCCc2ccc(S(N)(=O)=O)cc2)CC1 |
MW: | 325.434 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 83.71 |
cLogP: | 0.430700000000002 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
WIL-LEE-23e8b574-4
0.460
JAN-GHE-1d98ec1c-10
0.435
MAK-UNK-15efde89-1
0.431
JAN-GHE-1d98ec1c-1
0.423
HEI-REL-0c990a45-1
0.395
HEI-REL-0c990a45-2
0.382
JAN-GHE-1d98ec1c-4
0.373
WIL-LEE-23e8b574-2
0.373
AAR-POS-0daf6b7e-45
0.373
JAN-GHE-1d98ec1c-5
0.368
JAN-GHE-1d98ec1c-6
0.365
MIH-UNI-6b9ca91a-9
0.362
JAN-GHE-1d98ec1c-2
0.361
JAN-GHE-1d98ec1c-9
0.360
JAN-GHE-1d98ec1c-7
0.360
LON-WEI-b8d98729-4
0.360
JAN-GHE-1d98ec1c-3
0.355
HEI-REL-0c990a45-4
0.354
SAD-SAT-1f400d17-7
0.354
NIM-UNI-02269248-3
0.350
CHR-UNK-b46452fc-1
0.337
CHR-UNK-e061132b-1
0.337
PAU-UNI-2d648ace-1
0.337
JAN-GHE-1d98ec1c-8
0.333
MAK-UNK-6435e6c2-3
0.328
HEI-REL-0c990a45-5
0.317
PED-UNI-89deb5c9-1
0.313
MAR-TRE-6a44bbf2-73
0.312
SAD-SAT-65574d3f-2
0.312
AND-UNI-23ac02e4-1
0.303
MAK-UNK-6435e6c2-2
0.303
JOK-SYG-6ec557d2-1
0.302
PAT-UNK-b2d83456-2
0.301
SEL-UNI-cd366922-7
0.300
SAD-SAT-f0a2747f-9
0.297
WIL-LEE-23e8b574-1
0.294
KIM-UNI-2ee5d8f9-1
0.294
MAK-UNK-af83ef51-17
0.293
PAT-UNK-b2d83456-3
0.293
HEI-REL-0c990a45-3
0.293
PAT-UNK-b2d83456-1
0.292
WAR-XCH-b72a1bbc-48
0.292
WAR-XCH-b6889685-54
0.290
WIL-LEE-23e8b574-3
0.289
SAD-SAT-581007d4-4
0.289
MAK-UNK-6435e6c2-11
0.288
MAK-UNK-6435e6c2-10
0.288
WAR-XCH-b72a1bbc-14
0.288
MAK-UNK-4c6b313a-1
0.288
MAR-TRE-0fda4e82-52
0.288
MAK-UNK-0b1cbb06-5
0.284
ALE-MCD-a1893bfb-1
0.284
MAT-POS-7dfc56d9-1
0.283
WAL-WAB-9cbe20c2-1
0.282
BEN-DND-6de5dfa0-26
0.280
MAR-TRE-a3327163-68
0.280
JIA-UNI-93b03cae-1
0.278
BEN-VAN-c986b20b-1
0.277
WAR-XCH-b6889685-25
0.276
MAR-TRE-87acfbcc-44
0.276
WAR-XCH-b6889685-53
0.275
MIH-UNI-e573136b-4
0.274
SAD-SAT-581007d4-3
0.273
GAB-REV-70cc3ca5-20
0.273
BEN-DND-6de5dfa0-25
0.273
HAR-NEW-e34cb1ae-5
0.273
MAR-TRE-423310b6-30
0.273
WAL-WAB-c1441da0-1
0.272
MAK-UNK-6435e6c2-5
0.271
JON-UIO-066ce08b-3
0.271
IND-SYN-8f867502-2
0.271
NIR-THE-0d6461ce-4
0.271
ISA-SCH-8e98219b-2
0.270
WAR-XCH-b72a1bbc-49
0.270
MAK-UNK-e4a48a85-9
0.270
WAR-XCH-b72a1bbc-1
0.270
BEN-DND-6de5dfa0-17
0.269
BEN-DND-6de5dfa0-27
0.269
WAR-XCH-b6889685-30
0.269
WAR-XCH-b72a1bbc-9
0.269
WAR-XCH-b6889685-23
0.268
WAR-XCH-b72a1bbc-23
0.268
NIM-UNI-ed9fc491-2
0.267
DAR-DIA-fb20be43-9
0.267
KIM-UNI-7d12df64-3
0.267
WAR-XCH-b6889685-29
0.267
LIZ-THE-57c545eb-1
0.267
WAL-WAB-9cbe20c2-2
0.266
SAD-SAT-f2e2579e-5
0.265
BEN-VAN-c986b20b-2
0.265
BEN-VAN-c986b20b-10
0.265
BEN-VAN-c986b20b-17
0.265
SAD-SAT-89668ff1-4
0.265
BEN-VAN-c986b20b-3
0.265
BEN-VAN-c986b20b-16
0.265
MAK-UNK-212f693e-1
0.265
MAK-UNK-23561bf6-1
0.265
LIZ-THE-6efed59f-3
0.263
BEN-DND-6de5dfa0-22
0.263
BEN-DND-6de5dfa0-24
0.263