Molecular Properties | |
SMILES: | CN1CCOc2ccc(S(N)(=O)=O)cc21 |
MW: | 228.273 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 72.63 |
cLogP: | 0.1626 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-1989705 |
Mcule: | MCULE-1275686366 |
Dye 22
AAR-POS-d2a4d1df-4
AAR-POS-d2a4d1df-4
0.424
IND-SYN-8f867502-1
0.410
IND-SYN-058869ff-1
0.393
IND-SYN-8f867502-3
0.393
MAK-UNK-0b1cbb06-5
0.343
MAK-UNK-0b1cbb06-3
0.328
MAK-UNK-0b1cbb06-4
0.328
JAC-UNI-14c2e728-1
0.328
DUN-NEW-f8ce3686-14
0.311
PET-SGC-abcbce68-1
0.307
PET-SGC-c4a91520-1
0.296
HAR-NEW-e34cb1ae-6
0.295
NAU-LAT-42d4957e-4
0.295
HEI-REL-0c990a45-1
0.295
PET-SGC-6a1b02a9-1
0.293
MAK-UNK-0b1cbb06-2
0.289
JOK-SYG-ac99ed27-1
0.284
STE-NAN-bafe64f0-1
0.278
PET-SGC-908c18f3-1
0.275
MAK-UNK-0b1cbb06-1
0.275
HAR-NEW-e34cb1ae-5
0.274
JOK-SYG-6ec557d2-1
0.274
WIL-LEE-23e8b574-7
0.271
WAR-XCH-b72a1bbc-1
0.271
WAR-XCH-b72a1bbc-9
0.270
NAU-LAT-42d4957e-2
0.270
NAU-LAT-42d4957e-3
0.269
JAN-GHE-1d98ec1c-5
0.269
PET-SGC-481b48b7-1
0.269
FRA-DIA-3f9ae552-1
0.268
ASH-SAT-43770c7d-2
0.265
JAN-GHE-1d98ec1c-1
0.263
PET-SGC-616b7348-1
0.262
ASH-UNK-40b46b30-18
0.261
MAK-UNK-53da93bf-5
0.259
WAR-XCH-b6889685-53
0.258
SAD-SAT-5b1897b2-7
0.257
MAR-TRE-6a44bbf2-33
0.257
WAR-XCH-b6889685-54
0.254
WAR-XCH-b72a1bbc-18
0.254
MIH-UNI-6b9ca91a-9
0.253
PAU-UNI-2d648ace-1
0.250
SIM-DEM-5935bd74-7
0.250
WAR-XCH-b6889685-23
0.250
LIZ-THE-6efed59f-1
0.246
LIZ-THE-57c545eb-1
0.246
NAU-LAT-42d4957e-5
0.245
MAK-UNK-10799360-30
0.245
PET-SGC-05cff2e1-1
0.245
HEI-REL-0c990a45-4
0.244
JAN-GHE-1d98ec1c-9
0.244
WAR-XCH-b72a1bbc-7
0.243
WAR-XCH-b6889685-20
0.243
PET-SGC-210d4c30-1
0.243
LIZ-THE-d3ff4653-1
0.242
SAD-SAT-cefd50cc-8
0.241
LIZ-THE-6efed59f-3
0.241
WAR-XCH-b6889685-59
0.240
PAU-UNI-f4334617-1
0.240
WAR-XCH-b72a1bbc-5
0.239
WAR-XCH-b72a1bbc-6
0.239
WAR-XCH-b72a1bbc-48
0.239
HEI-REL-0c990a45-6
0.239
IND-SYN-5e5c1c3e-1
0.238
IND-SYN-830dcead-1
0.238
IND-SYN-a2b2ab0e-2
0.238
MAK-UNK-10799360-15
0.237
WAR-XCH-b72a1bbc-49
0.236
WAR-XCH-b6889685-55
0.236
SAD-SAT-f25ee457-2
0.236
TAM-UNI-c140e31a-6
0.236
DAR-DIA-37454fd7-2
0.236
WIL-WAB-1289c0dd-2
0.235
HEI-REL-0c990a45-2
0.235
WAR-XCH-b6889685-64
0.234
CHR-UNK-e061132b-1
0.233
CHR-UNK-b46452fc-1
0.233
WAR-XCH-b72a1bbc-23
0.232
JAR-KUA-41bd5a3d-19
0.232
HEI-REL-0c990a45-3
0.232
TAM-UNI-c140e31a-4
0.232
PET-SGC-59809fea-1
0.232
AAR-POS-d2a4d1df-15
0.231
WAR-XCH-b6889685-46
0.231
EDG-MED-21720aac-9
0.231
WAR-XCH-b72a1bbc-14
0.231
DAR-DIA-37454fd7-1
0.231
WAR-XCH-b6889685-45
0.231
WAR-XCH-b6889685-58
0.231
SAD-SAT-cefd50cc-9
0.230
WAR-XCH-b6889685-56
0.230
LIZ-THE-6efed59f-2
0.230
MAR-TRE-6a44bbf2-38
0.228
JAN-GHE-1d98ec1c-7
0.228
LON-WEI-b8d98729-4
0.228
WAR-XCH-b72a1bbc-42
0.228
MAK-UNK-7c9d1431-1
0.228
WAR-XCH-b6889685-44
0.228
LIZ-THE-d3ff4653-2
0.227
DAR-DIA-37454fd7-3
0.227