Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2ccc3ccc(S(N)(=O)=O)cc3c2)CC1 |
MW: | 347.44 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 83.71 |
cLogP: | 1.1513 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
MIH-UNI-6b9ca91a-9
0.841
SEL-UNI-cd366922-7
0.586
TAM-UNI-d1c3dd9f-6
0.554
JAN-GHE-1d98ec1c-3
0.528
JAN-GHE-1d98ec1c-5
0.480
NIR-THE-0d6461ce-4
0.474
HEI-REL-0c990a45-4
0.462
JAN-GHE-1d98ec1c-2
0.458
WIL-LEE-23e8b574-4
0.456
JAN-GHE-1d98ec1c-4
0.447
PET-SGC-85e821e4-1
0.437
JAN-GHE-1d98ec1c-8
0.427
WIL-LEE-23e8b574-7
0.423
PAT-UNK-b2d83456-1
0.408
CHR-UNK-e061132b-1
0.405
CHR-UNK-b46452fc-1
0.405
MAK-UNK-ec98eaf6-35
0.395
PAT-UNK-b2d83456-3
0.387
NIM-UNI-02269248-3
0.386
NIR-THE-0d6461ce-5
0.386
BEN-VAN-c986b20b-17
0.383
HEI-REL-0c990a45-2
0.383
DAR-DIA-fb20be43-9
0.381
JAN-GHE-1d98ec1c-9
0.380
PAT-UNK-b2d83456-2
0.378
MIH-UNI-e573136b-4
0.373
SIM-DEM-5935bd74-4
0.373
MAK-UNK-6435e6c2-3
0.373
BEN-VAN-c986b20b-10
0.366
BEN-VAN-c986b20b-16
0.366
DAR-DIA-fb20be43-12
0.365
WIL-LEE-23e8b574-3
0.364
JAN-GHE-1d98ec1c-7
0.362
LON-WEI-b8d98729-4
0.362
BEN-VAN-c986b20b-15
0.361
HEI-REL-0c990a45-1
0.361
BEN-VAN-c986b20b-1
0.361
MAK-UNK-10799360-17
0.360
JAN-GHE-1d98ec1c-10
0.359
KIM-UNI-2ee5d8f9-1
0.357
WIL-LEE-23e8b574-2
0.356
HEI-REL-0c990a45-5
0.353
BEN-VAN-c986b20b-2
0.349
BEN-VAN-c986b20b-3
0.349
MAK-UNK-ec98eaf6-36
0.348
SAD-SAT-581007d4-4
0.346
BEN-VAN-c986b20b-5
0.337
BEN-VAN-c986b20b-4
0.337
NIM-UNI-b87c0f72-3
0.333
NIM-UNI-b87c0f72-4
0.333
KEI-UNI-85a52787-2
0.333
SAD-SAT-581007d4-3
0.329
JAN-GHE-fd8d85a5-10
0.329
SIM-DEM-5935bd74-2
0.329
MAK-UNK-6435e6c2-2
0.329
KEI-UNI-85a52787-3
0.327
MAK-UNK-af83ef51-17
0.326
KEI-UNI-85a52787-1
0.324
WIL-LEE-23e8b574-1
0.319
MIH-UNI-e573136b-12
0.319
TAM-UNI-d1c3dd9f-3
0.319
NIR-THE-c331be7a-5
0.319
JAN-GHE-1d98ec1c-6
0.317
JOH-UNI-23d9e1b1-1
0.316
KIM-UNI-7d12df64-1
0.312
JUL-TUD-06b2044f-85
0.310
SAD-SAT-f25ee457-8
0.310
JAN-GHE-fd8d85a5-9
0.310
KIM-UNI-7d12df64-3
0.308
TAM-UNI-d1c3dd9f-5
0.307
JIA-UNI-93b03cae-1
0.303
AAR-POS-d2a4d1df-24
0.303
AMI-CSI-2ea5bed6-10
0.302
KIM-UNI-7d12df64-2
0.301
SAD-SAT-5b1897b2-5
0.300
HEI-REL-0c990a45-3
0.299
AND-UNI-23ac02e4-1
0.295
AAR-POS-0daf6b7e-45
0.294
ALE-MCD-a1893bfb-1
0.292
MAK-UNK-af83ef51-14
0.292
RAM-SYN-2a37ce6c-1
0.291
NIM-UNI-594fbbb6-3
0.290
NIM-UNI-bb610069-3
0.290
JOH-UNI-0e1753c1-2
0.289
JOH-UNI-0e1753c1-3
0.289
AAR-POS-d2a4d1df-35
0.289
HYO-UNK-49a60884-1
0.289
MED-COV-4280ac29-15
0.289
SIM-DEM-5935bd74-3
0.289
JOH-UNK-14e6adc5-7
0.289
JAN-GHE-fd8d85a5-1
0.289
JOK-SYG-18591e8f-1
0.287
JOH-UNK-14e6adc5-8
0.287
TAM-UNI-d1c3dd9f-4
0.286
BEN-VAN-d8fd1356-21
0.286
MAK-UNK-7c9d1431-14
0.284
JOH-UNI-0e1753c1-1
0.284
MAR-TRE-6a44bbf2-54
0.284
MAT-POS-ee51dedd-1
0.284
MAK-UNK-7c9d1431-16
0.284