Molecular Properties | |
SMILES: | CC(=O)N1CCN(CC2CCc3ccc(S(N)(=O)=O)cc3N2)CC1 |
MW: | 352.46 |
Fraction sp3: | 0.56 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 95.74 |
cLogP: | 0.224800000000002 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Dye 22
HEI-REL-0c990a45-1
0.500
PED-UNI-d0b586b3-1
0.438
JOK-SYG-6ec557d2-1
0.398
JAN-GHE-1d98ec1c-1
0.383
WIL-LEE-23e8b574-7
0.382
HEI-REL-0c990a45-3
0.376
HEI-REL-0c990a45-4
0.372
CHR-UNK-e061132b-1
0.371
CHR-UNK-b46452fc-1
0.371
JAN-GHE-1d98ec1c-5
0.369
JAN-GHE-1d98ec1c-10
0.358
NIM-UNI-02269248-3
0.352
HEI-REL-0c990a45-5
0.352
MIH-UNI-6b9ca91a-9
0.348
LON-WEI-b8d98729-4
0.345
JAN-GHE-1d98ec1c-9
0.345
JAN-GHE-1d98ec1c-7
0.345
JAN-GHE-1d98ec1c-4
0.341
STU-CHA-83dacf15-1
0.341
STU-CHA-83dacf15-2
0.337
JAN-GHE-1d98ec1c-2
0.329
STU-CHA-83dacf15-3
0.326
JAN-GHE-1d98ec1c-3
0.326
HAR-NEW-e34cb1ae-5
0.323
JAN-GHE-1d98ec1c-8
0.321
WIL-LEE-23e8b574-4
0.321
STU-CHA-7e77017b-1
0.316
HAR-NEW-e34cb1ae-6
0.315
HEI-REL-0c990a45-6
0.313
PAU-UNI-2d648ace-1
0.312
PED-UNI-89deb5c9-1
0.304
PAT-UNK-b2d83456-1
0.300
HAN-UNI-e165996f-1
0.299
PET-SGC-6a1b02a9-1
0.299
AAR-POS-d2a4d1df-4
0.299
PET-SGC-908c18f3-1
0.297
MAK-UNK-0b1cbb06-3
0.296
KEI-UNI-85a52787-2
0.296
MAK-UNK-0b1cbb06-4
0.295
MAK-UNK-0b1cbb06-5
0.293
WIL-WAB-1289c0dd-2
0.292
PET-SGC-481b48b7-1
0.292
NAU-LAT-42d4957e-3
0.292
JOK-SYG-ac99ed27-1
0.290
DAR-DIA-fb20be43-9
0.290
JAN-GHE-1d98ec1c-6
0.287
MAK-UNK-af83ef51-17
0.287
KIM-UNI-2ee5d8f9-1
0.286
DUN-NEW-f8ce3686-14
0.284
MAK-UNK-90d0606b-6
0.283
MIH-UNI-e573136b-4
0.283
JAN-GHE-fd8d85a5-10
0.282
SAD-SAT-581007d4-4
0.282
MAK-UNK-0b1cbb06-2
0.281
BEN-VAN-d8fd1356-24
0.281
MAK-UNK-6435e6c2-3
0.280
DAV-CRI-de95a6f4-1
0.280
KEI-UNI-85a52787-3
0.279
WAR-XCH-b72a1bbc-23
0.278
DAR-DIA-37454fd7-2
0.278
SEL-UNI-cd366922-7
0.278
BEN-VAN-d8fd1356-20
0.278
KEI-UNI-85a52787-1
0.277
DAR-DIA-fb20be43-12
0.277
MAK-UNK-6435e6c2-2
0.276
PET-SGC-ae7b447e-1
0.276
NAU-LAT-42d4957e-1
0.275
ASH-SAT-43770c7d-2
0.274
PAU-UNI-f4334617-1
0.274
BEN-VAN-d8fd1356-21
0.273
MIH-UNI-6b9ca91a-3
0.273
NAU-LAT-42d4957e-4
0.272
PET-SGC-616b7348-1
0.271
PAT-UNK-b2d83456-3
0.271
WAR-XCH-b72a1bbc-21
0.271
WAR-XCH-b6889685-26
0.271
AND-UNI-23ac02e4-1
0.270
SAD-SAT-5b1897b2-7
0.268
MAR-TRE-6a44bbf2-33
0.268
SAD-SAT-cefd50cc-9
0.268
TAM-UNI-c140e31a-13
0.268
WIL-LEE-23e8b574-3
0.267
KIM-UNI-7d12df64-1
0.267
SAD-SAT-581007d4-3
0.267
BEN-DND-6de5dfa0-25
0.267
JAN-GHE-fd8d85a5-9
0.267
PET-SGC-abcbce68-1
0.267
JAN-GHE-fd8d85a5-8
0.267
NIR-THE-0d6461ce-4
0.266
WAR-XCH-b6889685-54
0.266
NIM-UNI-594fbbb6-3
0.265
NIM-UNI-bb610069-3
0.265
WAR-XCH-b72a1bbc-20
0.265
WAR-XCH-b72a1bbc-49
0.265
NAU-LAT-42d4957e-2
0.265
BEN-DND-6de5dfa0-17
0.264
WAR-XCH-b72a1bbc-14
0.263
TAM-UNI-c140e31a-7
0.263
WAR-XCH-b6889685-23
0.263
MAK-UNK-af83ef51-15
0.262