Molecular Properties | |
SMILES: | CN1c2cc(S(N)(=O)=O)ccc2CC[C@@H]1c1ccn(C[C@@H]2CCOC2)n1 |
MW: | 376.482 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 90.45 |
cLogP: | 1.6907 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Dye 22
HEI-REL-0c990a45-1
0.389
HAR-NEW-e34cb1ae-6
0.389
HAR-NEW-e34cb1ae-5
0.366
JOK-SYG-6ec557d2-1
0.366
JOK-SYG-ac99ed27-1
0.364
STE-NAN-bafe64f0-2
0.359
ASH-SAT-43770c7d-2
0.347
AAR-POS-d2a4d1df-4
0.307
HEI-REL-0c990a45-6
0.306
PET-SGC-908c18f3-1
0.291
MAK-UNK-0b1cbb06-3
0.290
MAK-UNK-9a6be56d-31
0.290
PET-SGC-abcbce68-1
0.290
MAK-UNK-0b1cbb06-4
0.289
MAK-UNK-0b1cbb06-5
0.287
NAU-LAT-42d4957e-3
0.287
NAU-LAT-42d4957e-4
0.282
HEI-REL-0c990a45-3
0.282
DUN-NEW-f8ce3686-14
0.280
PET-SGC-6a1b02a9-1
0.280
IND-SYN-8f867502-2
0.278
PET-SGC-05cff2e1-1
0.276
PET-SGC-c4a91520-1
0.271
PET-SGC-481b48b7-1
0.262
DAR-DIA-37454fd7-1
0.262
PET-SGC-210d4c30-1
0.262
WIL-WAB-1289c0dd-2
0.256
DAR-DIA-37454fd7-2
0.256
MAK-UNK-0b1cbb06-2
0.255
NAU-LAT-42d4957e-2
0.252
PAU-UNI-f4334617-1
0.250
DAR-DIA-37454fd7-3
0.248
MAK-UNK-10799360-15
0.248
TAM-UNI-c140e31a-6
0.248
PAU-UNI-2d648ace-1
0.248
HEI-REL-0c990a45-2
0.248
IND-SYN-8f867502-3
0.247
IND-SYN-058869ff-1
0.247
STU-CHA-83dacf15-1
0.245
PET-SGC-616b7348-1
0.245
MAK-UNK-10799360-30
0.244
STU-CHA-83dacf15-2
0.243
MAK-UNK-0b1cbb06-1
0.243
PET-SGC-f913cec9-1
0.242
HAR-NEW-e34cb1ae-4
0.242
STU-CHA-7e77017b-1
0.239
MIH-UNI-6b9ca91a-3
0.237
STU-CHA-83dacf15-3
0.237
PET-SGC-f913cec9-2
0.237
NAU-LAT-42d4957e-5
0.234
MAK-UNK-9a6be56d-14
0.234
TAM-UNI-c140e31a-4
0.233
PET-SGC-59809fea-1
0.233
JUL-TUD-06b2044f-5
0.233
SAD-SAT-cefd50cc-9
0.232
MAK-UNK-9a6be56d-19
0.232
MAK-UNK-9a6be56d-12
0.230
TAM-UNI-c140e31a-17
0.230
HAR-NEW-e34cb1ae-3
0.229
MAK-UNK-9a6be56d-17
0.228
SAD-SAT-5b1897b2-7
0.227
MAR-TRE-6a44bbf2-33
0.227
MAK-UNK-9a6be56d-8
0.226
STE-NAN-bafe64f0-3
0.226
PET-SGC-fc67af9f-1
0.225
WAR-XCH-b6889685-54
0.223
FRA-DIA-3f9ae552-1
0.222
JAR-IMP-ed466bb3-6
0.222
MAK-UNK-9a6be56d-18
0.222
JUL-TUD-06b2044f-99
0.222
PET-SGC-ae7b447e-1
0.221
MAK-UNK-9a6be56d-10
0.221
MAK-UNK-9a6be56d-9
0.219
IND-SYN-8f867502-1
0.219
NAU-LAT-42d4957e-1
0.218
LIZ-THE-6efed59f-2
0.218
MAK-UNK-9a6be56d-22
0.217
MAK-UNK-9a6be56d-23
0.217
MAK-UNK-9a6be56d-1
0.217
WAR-XCH-b6889685-20
0.216
MIH-UNI-6b9ca91a-9
0.216
MAK-UNK-9a6be56d-2
0.216
MAK-UNK-9a6be56d-16
0.216
MAK-UNK-9a6be56d-15
0.216
PED-UNI-d0b586b3-1
0.214
WAR-XCH-b72a1bbc-49
0.212
MAK-UNK-9a6be56d-24
0.212
TAM-UNI-c140e31a-13
0.211
JAN-GHE-1d98ec1c-1
0.210
WAR-XCH-b72a1bbc-43
0.210
HEI-REL-0c990a45-4
0.209
MAK-UNK-9a6be56d-11
0.209
WAR-XCH-b72a1bbc-23
0.208
WAR-XCH-72a8c209-8
0.208
MAK-UNK-9a6be56d-30
0.207
ASH-UNK-40b46b30-10
0.207
TAM-UNI-c140e31a-7
0.207
TAM-UNI-c140e31a-12
0.207
TAM-UNI-c140e31a-5
0.207
WAR-XCH-b72a1bbc-14
0.207