Molecular Properties | |
SMILES: | C=CC(=O)N1CCC(CN2CCc3ccc(S(N)(=O)=O)cc3C2)CC1 |
MW: | 363.483 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 83.71 |
cLogP: | 1.1167 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
STU-CHA-83dacf15-1
0.720
STU-CHA-83dacf15-3
0.684
MAK-UNK-90d0606b-6
0.489
STU-CHA-814c6126-1
0.430
STU-CHA-09bcc2f6-1
0.429
TAM-UNI-c140e31a-7
0.404
STU-CHA-7e77017b-1
0.404
HEI-REL-0c990a45-3
0.393
SAD-SAT-1f400d17-4
0.347
TAM-UNI-c140e31a-5
0.340
HEI-REL-0c990a45-2
0.337
TAM-UNI-c140e31a-1
0.337
HEI-REL-0c990a45-1
0.333
SAD-SAT-b55127ae-9
0.330
MAK-UNK-10dfa458-10
0.329
JOK-SYG-6ec557d2-1
0.313
TAM-UNI-c140e31a-13
0.313
TAM-UNI-c140e31a-9
0.310
TAM-UNI-c140e31a-8
0.306
WAR-XCH-b72a1bbc-20
0.302
WAR-XCH-b72a1bbc-19
0.299
NAU-LAT-42d4957e-3
0.298
MAK-UNK-10799360-9
0.296
MAK-UNK-10799360-7
0.295
SAD-SAT-1f400d17-9
0.293
PEI-IMP-3d837503-2
0.293
MAK-UNK-10799360-11
0.292
WAR-XCH-b72a1bbc-21
0.292
HAR-NEW-e34cb1ae-6
0.292
JAG-SYN-9c2cd0bd-3
0.291
SAD-SAT-5b1897b2-7
0.291
MAR-TRE-6a44bbf2-33
0.291
SAD-SAT-2ceae68f-4
0.290
PET-SGC-908c18f3-1
0.289
WAR-XCH-b72a1bbc-22
0.288
SAD-SAT-1f400d17-1
0.284
PED-UNI-d0b586b3-1
0.283
WAR-XCH-b6889685-8
0.283
MAK-UNK-10dfa458-4
0.282
BEN-DND-03ad4429-7
0.282
SAD-SAT-f0a2747f-9
0.281
JAR-IMP-ed466bb3-6
0.281
ASH-SAT-43770c7d-2
0.280
WAR-XCH-b72a1bbc-28
0.280
SAD-SAT-b55127ae-5
0.279
PAU-UNI-2d648ace-1
0.279
SAD-SAT-2ceae68f-6
0.279
SAD-SAT-89668ff1-2
0.278
PET-SGC-6a1b02a9-1
0.277
DRV-UNK-dd7f8c68-2
0.276
DRV-UNK-64047f27-2
0.276
MAK-UNK-10dfa458-5
0.276
BEN-DND-03ad4429-3
0.276
SAD-SAT-b55127ae-3
0.276
HAR-NEW-e34cb1ae-5
0.275
MAK-UNK-0b1cbb06-3
0.273
NIR-THE-0d6461ce-4
0.273
ANT-OPE-c0c3e7cc-1
0.273
WAR-XCH-b6889685-13
0.273
PET-SGC-481b48b7-1
0.271
WAR-XCH-b6889685-10
0.271
MAK-UNK-10dfa458-18
0.271
MAK-UNK-212f693e-24
0.271
MAK-UNK-0b1cbb06-4
0.271
WAR-XCH-b72a1bbc-26
0.269
AHN-SAT-02ef6d10-4
0.269
HEI-REL-0c990a45-6
0.269
SAD-SAT-b55127ae-7
0.268
PAU-UNI-f4334617-1
0.268
AHN-SAT-02ef6d10-5
0.267
PET-SGC-616b7348-1
0.265
WAR-XCH-b72a1bbc-25
0.264
WAR-XCH-b6889685-14
0.263
WAR-XCH-b72a1bbc-30
0.262
AHN-SAT-02ef6d10-10
0.261
MAK-UNK-10799360-30
0.261
PET-SGC-05cff2e1-1
0.261
WAR-XCH-b6889685-11
0.260
WAR-XCH-b6889685-12
0.260
PET-SGC-ae7b447e-1
0.259
AAR-POS-d2a4d1df-4
0.259
AHN-SAT-02ef6d10-3
0.259
JOK-SYG-ac99ed27-1
0.257
SAD-SAT-9a6c5cf3-6
0.257
WAR-XCH-b72a1bbc-14
0.256
MAK-UNK-10dfa458-2
0.256
MAK-UNK-0b1cbb06-5
0.256
SAD-SAT-b55127ae-1
0.256
JAN-GHE-4287bd1a-1
0.256
WAR-XCH-72a8c209-10
0.255
MAK-UNK-10799360-15
0.254
JAG-SYN-9c2cd0bd-1
0.253
MAR-TRE-6a44bbf2-49
0.253
MAK-UNK-7c9d1431-5
0.253
MAR-TRE-6a44bbf2-31
0.253
MAK-UNK-7c9d1431-7
0.253
JAN-GHE-1d98ec1c-1
0.253
WAR-XCH-b72a1bbc-24
0.250
WAR-XCH-b72a1bbc-32
0.250
DAV-IMP-59dd6621-23
0.250