Molecular Properties | |
SMILES: | CN1CC(CO)Cc2ccc(S(N)(=O)=O)cc21 |
MW: | 256.09 |
Fraction sp3: | 0.45 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 83.63 |
cLogP: | -0.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
AAR-POS-d2a4d1df-4
AAR-POS-d2a4d1df-4
0.429
MAK-UNK-0b1cbb06-4
0.358
MAK-UNK-0b1cbb06-3
0.357
HEI-REL-0c990a45-1
0.354
MAK-UNK-9a6be56d-30
0.346
HAR-NEW-e34cb1ae-4
0.344
IND-SYN-8f867502-2
0.343
JOK-SYG-ac99ed27-1
0.341
IND-SYN-058869ff-1
0.338
IND-SYN-8f867502-3
0.338
DUN-NEW-f8ce3686-14
0.338
PET-SGC-6a1b02a9-1
0.338
IND-SYN-8f867502-1
0.333
PET-SGC-abcbce68-1
0.333
PET-SGC-908c18f3-1
0.333
WAR-XCH-b72a1bbc-14
0.323
PET-SGC-c4a91520-1
0.321
NAU-LAT-42d4957e-4
0.321
HAR-NEW-e34cb1ae-6
0.321
HEI-REL-0c990a45-6
0.319
PET-SGC-616b7348-1
0.318
PAU-UNI-f4334617-1
0.316
HAR-NEW-e34cb1ae-5
0.314
MAK-UNK-0b1cbb06-2
0.314
JOK-SYG-6ec557d2-1
0.314
HAR-NEW-e34cb1ae-3
0.308
HEI-REL-0c990a45-3
0.305
PET-SGC-210d4c30-1
0.301
MAK-UNK-10799360-15
0.299
NAU-LAT-42d4957e-3
0.296
PET-SGC-481b48b7-1
0.296
PET-SGC-05cff2e1-1
0.295
MAK-UNK-10799360-30
0.295
NAU-LAT-42d4957e-2
0.293
HEI-REL-0c990a45-2
0.293
ASH-SAT-43770c7d-2
0.291
FRA-DIA-3f9ae552-1
0.290
PAU-UNI-2d648ace-1
0.289
DAR-DIA-37454fd7-1
0.288
STE-NAN-bafe64f0-1
0.287
WIL-LEE-23e8b574-7
0.284
WIL-WAB-1289c0dd-2
0.283
DAR-DIA-37454fd7-3
0.282
STU-CHA-7e77017b-1
0.278
JAR-IMP-ed466bb3-6
0.277
TAM-UNI-c140e31a-6
0.275
JAN-GHE-1d98ec1c-7
0.272
LON-WEI-b8d98729-4
0.272
JAN-GHE-1d98ec1c-9
0.272
MAR-TRE-6a44bbf2-33
0.270
SAD-SAT-5b1897b2-7
0.270
DAR-DIA-37454fd7-2
0.269
PET-SGC-59809fea-1
0.268
NAU-LAT-42d4957e-5
0.267
JAN-GHE-1d98ec1c-5
0.265
PET-SGC-f913cec9-1
0.264
JAC-UNI-14c2e728-1
0.264
WAR-XCH-b72a1bbc-23
0.264
MAK-UNK-10799360-11
0.263
WAR-XCH-b6889685-46
0.259
JAN-GHE-1d98ec1c-1
0.259
SAD-SAT-89668ff1-2
0.259
STU-CHA-83dacf15-1
0.258
ASH-UNK-40b46b30-18
0.258
LIZ-THE-d3ff4653-1
0.258
PET-SGC-f913cec9-2
0.257
WAR-XCH-b6889685-20
0.257
HEI-REL-0c990a45-4
0.256
STU-CHA-83dacf15-2
0.256
SAD-SAT-cefd50cc-9
0.256
TAM-UNI-c140e31a-4
0.255
MAK-UNK-53da93bf-5
0.254
WAR-XCH-b72a1bbc-48
0.253
NIM-UNI-02269248-3
0.253
SAD-SAT-cefd50cc-8
0.253
PET-SGC-ae7b447e-1
0.253
MAK-UNK-9a6be56d-31
0.252
WAR-XCH-b72a1bbc-49
0.250
DAR-DIA-caba39e3-10
0.248
STU-CHA-83dacf15-3
0.247
WAR-XCH-b6889685-23
0.247
WAR-XCH-b72a1bbc-9
0.246
LIZ-THE-6efed59f-2
0.246
MAK-UNK-90d0606b-6
0.245
CHR-UNK-b46452fc-1
0.244
CHR-UNK-e061132b-1
0.244
PET-SGC-fc67af9f-1
0.243
LIZ-THE-d3ff4653-2
0.243
AAR-POS-0daf6b7e-45
0.242
LIZ-THE-57c545eb-1
0.242
MAK-UNK-9a6be56d-14
0.241
MAK-UNK-9a6be56d-2
0.241
MAK-UNK-0b1cbb06-1
0.241
MAK-UNK-9a6be56d-18
0.239
JAR-KUA-41bd5a3d-18
0.239
NIR-THE-0d6461ce-4
0.239
JAN-GHE-1d98ec1c-4
0.238
TAM-UNI-c140e31a-17
0.238
NAU-LAT-42d4957e-1
0.237
MAK-UNK-9a6be56d-10
0.237