Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2ccc3c(S(N)(=O)=O)c[nH]c3c2)CC1 |
MW: | 336.417 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 99.5 |
cLogP: | 0.4794 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
JAN-GHE-1d98ec1c-3
0.514
JAN-GHE-1d98ec1c-2
0.466
JAN-GHE-1d98ec1c-1
0.447
WIL-LEE-23e8b574-4
0.443
JAN-GHE-1d98ec1c-8
0.416
MIH-UNI-6b9ca91a-9
0.388
CHR-UNK-e061132b-1
0.379
CHR-UNK-b46452fc-1
0.379
PAT-UNK-b2d83456-1
0.378
PAT-UNK-b2d83456-3
0.377
NIM-UNI-02269248-3
0.376
WIL-LEE-23e8b574-7
0.373
PAT-UNK-b2d83456-2
0.368
HEI-REL-0c990a45-4
0.365
MAK-UNK-6435e6c2-3
0.362
BEN-VAN-c986b20b-3
0.357
BEN-VAN-c986b20b-10
0.357
WIL-LEE-23e8b574-3
0.354
BEN-VAN-c986b20b-1
0.353
KIM-UNI-2ee5d8f9-1
0.347
WIL-LEE-23e8b574-2
0.347
JAN-GHE-1d98ec1c-5
0.345
HEI-REL-0c990a45-5
0.345
BEN-VAN-c986b20b-5
0.345
BEN-VAN-c986b20b-2
0.341
BEN-VAN-c986b20b-17
0.341
HEI-REL-0c990a45-2
0.341
BEN-VAN-c986b20b-16
0.341
JAN-GHE-1d98ec1c-9
0.337
BEN-VAN-c986b20b-15
0.337
BEN-VAN-c986b20b-4
0.330
SEL-UNI-cd366922-7
0.329
BEN-VAN-d8fd1356-21
0.325
JOH-UNI-23d9e1b1-1
0.325
HEI-REL-0c990a45-1
0.322
JAN-GHE-1d98ec1c-7
0.321
LON-WEI-b8d98729-4
0.321
MAK-UNK-6435e6c2-2
0.319
BEN-VAN-d8fd1356-24
0.318
DAR-DIA-fb20be43-9
0.311
JAN-GHE-1d98ec1c-6
0.310
KIM-UNI-7d12df64-1
0.305
JAN-GHE-fd8d85a5-10
0.305
SAD-SAT-581007d4-3
0.305
SAD-SAT-581007d4-4
0.305
JAN-GHE-fd8d85a5-3
0.302
JAN-GHE-1d98ec1c-10
0.301
TAM-UNI-d1c3dd9f-5
0.300
KIM-UNI-7d12df64-3
0.300
SEL-UNI-cd366922-8
0.299
BEN-VAN-d8fd1356-20
0.299
JOH-MSK-d60b0211-1
0.298
PAT-UNK-b2d83456-5
0.298
PAT-UNK-b2d83456-4
0.297
AAR-POS-d2a4d1df-24
0.295
KIM-UNI-7d12df64-2
0.294
SAD-SAT-5b1897b2-5
0.293
TAM-UNI-d1c3dd9f-19
0.292
MIH-UNI-e573136b-4
0.289
JAN-GHE-fd8d85a5-9
0.287
JAN-GHE-fd8d85a5-8
0.287
MAK-UNK-af83ef51-14
0.286
TAM-UNI-d1c3dd9f-6
0.286
NIM-UNI-bb610069-3
0.284
NIM-UNI-594fbbb6-3
0.284
JAN-GHE-fd8d85a5-1
0.282
JOH-UNI-0e1753c1-2
0.282
HYO-UNK-49a60884-1
0.282
MED-COV-4280ac29-15
0.282
AAR-POS-d2a4d1df-35
0.282
JOH-UNI-0e1753c1-3
0.282
JOK-SYG-18591e8f-1
0.280
MAK-UNK-af83ef51-17
0.280
JIA-UNI-93b03cae-1
0.278
MAK-UNK-7c9d1431-14
0.277
MAK-UNK-7c9d1431-16
0.277
SAD-SAT-2ceae68f-8
0.277
MAR-TRE-6a44bbf2-54
0.277
JOH-UNI-0e1753c1-1
0.277
ANT-OPE-d972fbad-1
0.276
WIL-LEE-23e8b574-1
0.276
AHN-SAT-02ef6d10-10
0.275
DRR-IMP-38dce17f-2
0.275
MAK-UNK-6ca90168-13
0.275
MAK-UNK-176ca439-6
0.274
MAK-UNK-69e28b36-1
0.274
JUL-TUD-06b2044f-85
0.273
MAT-POS-2db6411e-1
0.272
MAK-UNK-e4a48a85-18
0.270
DAR-DIA-fb20be43-12
0.269
MAK-UNK-176ca439-7
0.269
JOH-UNK-14e6adc5-7
0.267
JOH-UNK-14e6adc5-8
0.267
MAK-UNK-7c9d1431-29
0.267
JAN-GHE-fd8d85a5-2
0.266
MAK-UNK-7c9d1431-18
0.264
VIT-UNK-2a0afa28-3
0.264
SAD-SAT-1f400d17-6
0.263
AND-UNI-23ac02e4-1
0.263
MAT-POS-ee51dedd-1
0.262