Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2ccc3cc(S(N)(=O)=O)[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-1
0.528
JAN-GHE-1d98ec1c-4
0.514
MIH-UNI-6b9ca91a-9
0.457
JAN-GHE-1d98ec1c-2
0.427
WIL-LEE-23e8b574-4
0.423
JAN-GHE-1d98ec1c-8
0.416
SEL-UNI-cd366922-7
0.412
BEN-VAN-c986b20b-16
0.407
BEN-VAN-c986b20b-17
0.390
CHR-UNK-e061132b-1
0.379
CHR-UNK-b46452fc-1
0.379
PAT-UNK-b2d83456-1
0.378
JAN-GHE-1d98ec1c-5
0.378
BEN-VAN-c986b20b-2
0.373
BEN-VAN-c986b20b-10
0.373
WIL-LEE-23e8b574-3
0.372
BEN-VAN-c986b20b-1
0.369
PAT-UNK-b2d83456-2
0.368
KIM-UNI-2ee5d8f9-1
0.366
WIL-LEE-23e8b574-2
0.365
MAK-UNK-6435e6c2-3
0.362
PAT-UNK-b2d83456-3
0.359
BEN-VAN-c986b20b-3
0.357
WIL-LEE-23e8b574-7
0.355
BEN-VAN-c986b20b-15
0.353
HEI-REL-0c990a45-4
0.349
NIM-UNI-02269248-3
0.345
TAM-UNI-d1c3dd9f-6
0.345
HEI-REL-0c990a45-5
0.345
BEN-VAN-c986b20b-4
0.345
MAK-UNK-6435e6c2-2
0.338
BEN-VAN-c986b20b-5
0.330
HEI-REL-0c990a45-2
0.326
JAN-GHE-1d98ec1c-9
0.321
TAM-UNI-d1c3dd9f-5
0.315
SEL-UNI-cd366922-8
0.312
JAN-GHE-1d98ec1c-6
0.310
SAD-SAT-5b1897b2-5
0.309
JOH-UNI-23d9e1b1-1
0.308
JAN-GHE-1d98ec1c-7
0.306
LON-WEI-b8d98729-4
0.306
SAD-SAT-581007d4-4
0.305
JAN-GHE-1d98ec1c-10
0.301
KIM-UNI-7d12df64-3
0.300
MAK-UNK-af83ef51-14
0.299
JOH-UNK-14e6adc5-7
0.298
AAR-POS-d2a4d1df-24
0.295
WIL-LEE-23e8b574-1
0.293
JOH-UNI-0e1753c1-1
0.293
HEI-REL-0c990a45-1
0.292
ELE-IMP-dfb36048-6
0.292
KIM-UNI-7d12df64-1
0.289
JAN-GHE-fd8d85a5-10
0.289
SAD-SAT-581007d4-3
0.289
MIH-UNI-e573136b-4
0.289
JAN-GHE-fd8d85a5-8
0.287
BEN-VAN-d8fd1356-24
0.287
BEN-VAN-c986b20b-6
0.287
MAK-UNK-7c9d1431-29
0.284
DAR-DIA-fb20be43-9
0.283
BEN-VAN-c986b20b-8
0.283
MED-COV-4280ac29-15
0.282
JOH-UNI-0e1753c1-2
0.282
AAR-POS-d2a4d1df-35
0.282
JOH-UNI-0e1753c1-3
0.282
HYO-UNK-49a60884-1
0.282
MAK-UNK-176ca439-2
0.281
JOH-UNK-14e6adc5-8
0.281
JOK-SYG-18591e8f-1
0.280
MAK-UNK-af83ef51-17
0.280
SAD-SAT-1f400d17-6
0.280
BEN-VAN-d8fd1356-21
0.279
KIM-UNI-7d12df64-2
0.279
JIA-UNI-93b03cae-1
0.278
BEN-VAN-c986b20b-11
0.278
MAR-TRE-6a44bbf2-54
0.277
MAK-UNK-7c9d1431-14
0.277
SAD-SAT-2ceae68f-8
0.277
MAK-UNK-7c9d1431-16
0.277
BEN-VAN-c986b20b-13
0.277
ANT-OPE-d972fbad-1
0.276
HAN-UNI-e165996f-1
0.276
DRR-IMP-38dce17f-2
0.275
MAK-UNK-6ca90168-13
0.275
AHN-SAT-02ef6d10-10
0.275
BEN-VAN-c986b20b-7
0.274
JAN-GHE-fd8d85a5-3
0.273
MAK-UNK-af83ef51-10
0.273
JUL-TUD-06b2044f-85
0.273
JAN-GHE-fd8d85a5-9
0.273
ISA-SCH-8e98219b-2
0.272
BEN-VAN-d8fd1356-20
0.270
DAR-DIA-fb20be43-12
0.269
PAT-UNK-b2d83456-4
0.269
MAK-UNK-10dfa458-14
0.268
JAN-GHE-fd8d85a5-1
0.267
MAK-UNK-176ca439-4
0.265
TAM-UNI-d1c3dd9f-19
0.265
MAK-UNK-3c359d2a-1
0.265
BEN-VAN-c986b20b-18
0.265