Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2cccc(CCS(N)(=O)=O)c2)CC1 |
MW: | 325.434 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 83.71 |
cLogP: | 0.181700000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
WIL-LEE-23e8b574-3
0.619
WIL-LEE-23e8b574-4
0.600
JAN-GHE-1d98ec1c-8
0.552
PAT-UNK-b2d83456-1
0.516
PAT-UNK-b2d83456-3
0.485
PAT-UNK-b2d83456-2
0.478
JAN-GHE-1d98ec1c-4
0.466
JAN-GHE-1d98ec1c-1
0.458
JOK-SYG-18591e8f-1
0.429
JAN-GHE-1d98ec1c-3
0.427
MAK-UNK-849bee6c-9
0.418
MIH-UNI-6b9ca91a-9
0.412
AAR-POS-d2a4d1df-24
0.412
MAK-UNK-849bee6c-8
0.407
JOH-UNI-23d9e1b1-1
0.406
JAN-GHE-1d98ec1c-6
0.400
HYO-UNK-49a60884-1
0.397
JOH-UNI-0e1753c1-3
0.397
MED-COV-4280ac29-15
0.397
AAR-POS-d2a4d1df-35
0.397
MAK-UNK-6435e6c2-3
0.391
MIH-UNI-e573136b-5
0.387
DRR-IMP-38dce17f-2
0.386
MAT-POS-ee51dedd-1
0.384
JOH-UNI-0e1753c1-2
0.377
KIM-UNI-2ee5d8f9-1
0.373
WIL-LEE-23e8b574-2
0.371
AHN-SAT-02ef6d10-10
0.366
MAK-UNK-6ca90168-13
0.366
NIM-UNI-02269248-3
0.366
JOH-UNI-0e1753c1-1
0.365
VIT-UNK-2a0afa28-3
0.364
MAK-UNK-6435e6c2-2
0.364
BEN-VAN-c986b20b-17
0.362
WIL-LEE-23e8b574-7
0.361
JAN-GHE-1d98ec1c-9
0.359
BEN-VAN-c986b20b-1
0.358
HEI-REL-0c990a45-4
0.354
JOH-ILL-da934517-3
0.351
JAN-GHE-1d98ec1c-5
0.350
SEL-UNI-cd366922-7
0.350
HEI-REL-0c990a45-5
0.349
MAK-UNK-176ca439-7
0.347
BEN-VAN-c986b20b-3
0.346
BEN-VAN-c986b20b-10
0.346
BEN-VAN-c986b20b-2
0.346
BEN-VAN-c986b20b-16
0.346
TAM-UNI-d1c3dd9f-12
0.345
LON-WEI-b8d98729-4
0.342
JAN-GHE-1d98ec1c-7
0.342
HEI-REL-0c990a45-1
0.341
BEN-VAN-c986b20b-15
0.341
SAD-SAT-7d5528d9-16
0.341
MAK-UNK-176ca439-2
0.341
MAK-UNK-af83ef51-10
0.338
VIT-UNK-cff011c0-2
0.337
MAK-UNK-849bee6c-7
0.337
MAK-UNK-176ca439-3
0.333
TAM-UNI-d1c3dd9f-5
0.333
BEN-VAN-c986b20b-4
0.333
BEN-VAN-c986b20b-5
0.333
WIL-LEE-23e8b574-1
0.333
MAK-UNK-cd94b63c-1
0.333
DAR-DIA-fb20be43-9
0.329
HEI-REL-0c990a45-2
0.329
DRR-IMP-38dce17f-3
0.328
MAK-UNK-7c9d1431-24
0.328
SAD-SAT-581007d4-4
0.325
MAK-UNK-e4a48a85-7
0.322
CHR-UNK-b46452fc-1
0.322
MAK-UNK-849bee6c-14
0.322
CHR-UNK-e061132b-1
0.322
MIH-UNI-e573136b-4
0.321
KIM-UNI-7d12df64-3
0.320
TAM-UNI-d1c3dd9f-6
0.318
MAK-UNK-af83ef51-14
0.315
SEL-UNI-cd366922-8
0.315
SAD-SAT-7d5528d9-8
0.314
JOH-UNK-14e6adc5-8
0.313
KIM-UNI-7d12df64-2
0.312
SAD-SAT-5b1897b2-5
0.312
STU-CHA-464c0256-1
0.310
MAK-UNK-af83ef51-15
0.309
MAK-UNK-3c359d2a-1
0.308
MAK-UNK-176ca439-4
0.308
JAN-GHE-fd8d85a5-10
0.308
SAD-SAT-581007d4-3
0.308
KIM-UNI-7d12df64-1
0.308
MAK-UNK-af83ef51-11
0.307
JAN-GHE-fd8d85a5-8
0.305
SAD-SAT-1f400d17-1
0.304
JAN-GHE-1d98ec1c-10
0.304
SAD-SAT-7d5528d9-2
0.303
DRR-IMP-38dce17f-4
0.301
MAK-UNK-849bee6c-12
0.300
VIT-UNK-2a0afa28-1
0.300
SAD-SAT-135344c3-9
0.300
JAN-GHE-fd8d85a5-1
0.300
MAK-UNK-849bee6c-4
0.300
MAK-UNK-849bee6c-16
0.300