Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(S(=O)(=O)CC)CC1 |
MW: | 232.09 |
Fraction sp3: | 0.67 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | -0.33 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-5567853 |
Enamine SCR: | Z2896152761 |
Enamine Extended REAL: | m_273270____13690504____10884640 |
Mcule: | MCULE-7453064634 |
MolPort: | MolPort-046-112-381 |
Hetero_hetero
SAD-SAT-3a925b8b-10
0.460
PEI-IMP-3d837503-2
0.440
SAD-SAT-b55127ae-5
0.434
MAK-UNK-6ca90168-16
0.429
SAD-SAT-6b5a89f0-9
0.429
MAK-UNK-10dfa458-18
0.423
MAK-UNK-10dfa458-6
0.423
JAG-SYN-9c2cd0bd-1
0.415
MAK-UNK-10dfa458-4
0.415
BEN-DND-03ad4429-7
0.415
JAN-GHE-4287bd1a-1
0.411
AHN-SAT-02ef6d10-5
0.404
TOB-UNK-c2aba166-2
0.400
BEN-DND-03ad4429-3
0.400
MAK-UNK-10dfa458-5
0.400
AHN-SAT-02ef6d10-6
0.364
SAD-SAT-b55127ae-10
0.357
SAD-SAT-1f400d17-1
0.346
SAD-SAT-edc8a235-6
0.342
SAD-SAT-1f400d17-6
0.340
MAK-UNK-10dfa458-9
0.339
ANT-OPE-d972fbad-1
0.333
SAD-SAT-f0a2747f-9
0.333
MAK-UNK-10dfa458-1
0.327
AHN-SAT-02ef6d10-3
0.327
MAK-UNK-10dfa458-2
0.321
JOH-UNI-27ac80fd-3
0.316
JOH-UNI-27ac80fd-26
0.315
MAK-UNK-6ca90168-21
0.315
MAK-UNK-6ca90168-12
0.315
DAV-IMP-59dd6621-23
0.310
SAD-SAT-b55127ae-4
0.310
WIL-LEE-23e8b574-1
0.309
MAK-UNK-6ca90168-13
0.305
AHN-SAT-02ef6d10-10
0.305
SAD-SAT-581007d4-8
0.305
SAD-SAT-2ceae68f-4
0.301
SAD-SAT-b55127ae-3
0.300
STU-CHA-128b80be-2
0.299
MAK-UNK-212f693e-24
0.298
MED-COV-4280ac29-14
0.298
MAK-UNK-10dfa458-10
0.295
SAD-SAT-b55127ae-1
0.295
SAD-SAT-f0a2747f-6
0.292
MAK-UNK-6ca90168-2
0.290
NIR-THE-b7e8e081-1
0.288
SAD-SAT-2ceae68f-7
0.288
SAD-SAT-2ceae68f-8
0.286
JOO-IND-6372a4f3-4
0.281
MAK-UNK-10dfa458-8
0.281
ANT-OPE-c0c3e7cc-1
0.279
JOH-UNI-27ac80fd-34
0.274
NAU-LAT-64f4b287-2
0.274
NAU-LAT-f723e322-4
0.270
JAN-GHE-bf40f168-1
0.270
MAK-UNK-7c9d1431-23
0.267
MAR-TRE-6a44bbf2-28
0.267
SAD-SAT-b55127ae-2
0.267
JAN-GHE-6413aaf8-7
0.266
JAG-SYN-9c2cd0bd-3
0.262
KAI-MCD-cb49037b-1
0.262
JAN-GHE-6413aaf8-9
0.260
MAK-UNK-10dfa458-7
0.260
MAT-POS-4e253971-2
0.257
AHN-SAT-b1e6fbb2-1
0.256
MAK-UNK-10dfa458-14
0.256
SAD-SAT-2ceae68f-5
0.256
JAN-GHE-bf40f168-2
0.256
MED-COV-4280ac29-32
0.254
AHN-SAT-02ef6d10-4
0.254
SAD-SAT-b55127ae-7
0.254
WAR-XCH-72a8c209-10
0.253
SAD-SAT-1f400d17-4
0.253
DAV-IMP-59dd6621-21
0.250
DRR-IMP-11d47bff-1
0.250
SAD-SAT-b55127ae-9
0.250
SAD-SAT-3a925b8b-9
0.250
MAK-UNK-10dfa458-13
0.247
STU-CHA-83dacf15-2
0.247
JAN-GHE-bf40f168-9
0.247
SAD-SAT-1f400d17-10
0.246
SWA-SYN-6423ea73-5
0.246
SWA-SYN-d2e6fa14-5
0.246
MAT-POS-2db6411e-1
0.243
JOH-UNI-e19b918c-5
0.241
SAD-SAT-1b030f84-8
0.240
MAK-UNK-987948f6-4
0.240
SAD-SAT-2ceae68f-1
0.240
SAD-SAT-2fd372d1-10
0.239
BEN-DND-76ad4ac9-9
0.239
BEN-DND-03406596-1
0.239
JAN-GHE-6413aaf8-5
0.237
SAD-SAT-bc31ec01-9
0.237
WAR-XCH-72a8c209-9
0.236
TOB-UNK-c2aba166-3
0.235
ABI-SAT-ddc50085-2
0.235
ANT-OPE-3756b28b-1
0.235
DRV-UNK-dd7f8c68-2
0.235
DRV-UNK-64047f27-2
0.235
AHN-SAT-02ef6d10-9
0.233