Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2cc(Cl)c3ccc(S(N)(=O)=O)cc3n2)CC1 |
MW: | 382.873 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 96.6 |
cLogP: | 1.1997 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Dye 22
4-halopyridine
JAN-GHE-1d98ec1c-5
0.581
JAN-GHE-1d98ec1c-1
0.462
CHR-UNK-e061132b-1
0.442
CHR-UNK-b46452fc-1
0.442
NIM-UNI-02269248-3
0.440
MIH-UNI-6b9ca91a-9
0.402
DAR-DIA-fb20be43-9
0.386
WIL-LEE-23e8b574-4
0.382
HEI-REL-0c990a45-2
0.372
DAR-DIA-fb20be43-12
0.371
JAN-GHE-1d98ec1c-4
0.365
MIH-UNI-e573136b-4
0.364
JAN-GHE-1d98ec1c-8
0.361
HEI-REL-0c990a45-5
0.360
BEN-VAN-c986b20b-10
0.356
NIM-UNI-bb610069-3
0.355
NIM-UNI-594fbbb6-3
0.355
WIL-LEE-23e8b574-7
0.354
JAN-GHE-1d98ec1c-2
0.354
JAN-GHE-1d98ec1c-3
0.349
SEL-UNI-cd366922-7
0.345
BEN-VAN-c986b20b-5
0.344
BEN-VAN-c986b20b-3
0.341
KIM-UNI-7d12df64-1
0.337
JAN-GHE-1d98ec1c-9
0.337
JAN-GHE-1d98ec1c-7
0.337
LON-WEI-b8d98729-4
0.337
HEI-REL-0c990a45-1
0.337
JAN-GHE-1d98ec1c-10
0.333
KIM-UNI-7d12df64-3
0.333
AND-UNI-23ac02e4-1
0.330
JOH-UNK-14e6adc5-7
0.329
KIM-UNI-2ee5d8f9-1
0.329
JAN-GHE-fd8d85a5-10
0.321
KEI-UNI-85a52787-2
0.315
JAN-GHE-fd8d85a5-1
0.314
JOH-UNK-14e6adc5-8
0.311
BEN-VAN-d8fd1356-21
0.310
KEI-UNI-85a52787-3
0.309
PAT-UNK-b2d83456-1
0.309
MAK-UNK-6435e6c2-3
0.307
KEI-UNI-85a52787-1
0.306
SAD-SAT-581007d4-3
0.306
SAD-SAT-581007d4-4
0.306
JAN-GHE-fd8d85a5-3
0.303
MAK-UNK-6435e6c2-2
0.303
WIL-LEE-23e8b574-2
0.296
KIM-UNI-7d12df64-2
0.295
BEN-VAN-c986b20b-13
0.292
BEN-VAN-d8fd1356-24
0.289
JAN-GHE-fd8d85a5-9
0.289
BEN-VAN-c986b20b-7
0.289
STU-CHA-0f79177c-1
0.289
TAM-UNI-d1c3dd9f-6
0.287
PAT-UNK-b2d83456-2
0.286
BEN-VAN-d8fd1356-20
0.286
ALE-MCD-a1893bfb-1
0.286
MIH-UNI-e573136b-5
0.284
BEN-VAN-c986b20b-16
0.283
BEN-VAN-c986b20b-17
0.283
MAK-UNK-af83ef51-17
0.282
JAN-GHE-fd8d85a5-2
0.281
TAM-UNI-d1c3dd9f-4
0.281
JAN-GHE-1d98ec1c-6
0.281
PAU-UNI-2d648ace-1
0.280
HEI-REL-0c990a45-3
0.280
BEN-VAN-c986b20b-1
0.280
PAT-UNK-b2d83456-3
0.279
SAD-SAT-5b1897b2-2
0.277
WIL-LEE-23e8b574-3
0.276
BEN-DND-6de5dfa0-19
0.276
JOK-SYG-6ec557d2-1
0.276
HAR-NEW-e34cb1ae-5
0.276
JUL-TUD-06b2044f-85
0.275
JAN-GHE-fd8d85a5-8
0.275
BEN-VAN-c986b20b-4
0.274
NIR-THE-0d6461ce-4
0.274
JAN-GHE-fd8d85a5-12
0.273
DRR-IMP-38dce17f-5
0.272
PED-UNI-89deb5c9-1
0.271
SIM-DEM-5935bd74-3
0.270
BEN-VAN-c986b20b-2
0.269
STU-CHA-464c0256-1
0.268
JUL-TUD-06b2044f-73
0.266
DAR-DIA-caba39e3-10
0.266
ANT-STE-dbb91f63-1
0.266
BEN-VAN-c986b20b-15
0.266
HYO-UNK-50298ba0-1
0.264
JAN-GHE-fd8d85a5-6
0.263
NEH-REV-107bcf72-5
0.262
JOH-UNI-23d9e1b1-1
0.262
SAD-SAT-5b1897b2-7
0.262
MAR-TRE-6a44bbf2-33
0.262
NIR-THE-0d6461ce-5
0.260
PAT-UNK-b2d83456-5
0.260
JOH-MSK-d60b0211-1
0.260
AAR-POS-d2a4d1df-4
0.259
MAK-UNK-6435e6c2-5
0.259
BEN-DND-6de5dfa0-27
0.258
TRY-UNI-1fd04853-4
0.258