Molecular Properties | |
SMILES: | CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 |
MW: | 282.365 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 0.6805 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine SCR: | Z28904865 |
Enamine REAL: | Z28904865 |
Enamine Extended REAL: | s_22____58803____58844 |
Mcule: | MCULE-3537250103 |
Mcule Ultimate: | IZCZEEXRFSPPNA-UHFFFAOYSA-N |
MolPort: | MolPort-020-017-102 |
Hetero_hetero
MAK-UNK-7c9d1431-23
0.686
MAR-TRE-6a44bbf2-28
0.686
BEN-DND-76ad4ac9-9
0.576
BEN-DND-03406596-1
0.576
ANT-OPE-7824651a-2
0.413
KAI-MCD-cb49037b-1
0.403
DRA-CSI-47e38074-2
0.400
MAK-UNK-6435e6c2-5
0.383
MAK-UNK-6435e6c2-1
0.373
MAK-UNK-6435e6c2-6
0.373
MAK-UNK-6435e6c2-10
0.362
MAK-UNK-6435e6c2-11
0.362
MAK-UNK-4c6b313a-1
0.362
SAD-SAT-2fd372d1-2
0.359
JAN-GHE-1d98ec1c-6
0.357
ALE-MCD-a1893bfb-1
0.356
JAG-UCB-ef2c0e8e-8
0.353
JAN-GHE-1d98ec1c-8
0.343
DRA-CSI-47e38074-3
0.333
JAN-GHE-1d98ec1c-2
0.333
MAK-UNK-23561bf6-1
0.333
AAR-POS-fca48359-5
0.328
MAK-UNK-af83ef51-2
0.328
PAT-UNK-b2d83456-2
0.328
MAK-UNK-10dfa458-9
0.328
JAN-GHE-1d98ec1c-1
0.319
PAT-UNK-b2d83456-1
0.318
MAK-UNK-7c9d1431-9
0.317
MAR-TRE-6a44bbf2-21
0.317
DRR-IMP-38dce17f-3
0.317
MAK-UNK-7c9d1431-24
0.317
ANT-OPE-7824651a-1
0.315
WIL-LEE-23e8b574-5
0.313
BEN-DND-362d364a-1
0.313
DRA-CSI-47e38074-12
0.312
NAU-LAT-f723e322-5
0.312
SAD-SAT-1f400d17-1
0.311
AHN-SAT-02ef6d10-7
0.309
BEN-DND-362d364a-5
0.307
DRA-CSI-3ab97369-4
0.304
WIL-LEE-23e8b574-4
0.303
SAD-SAT-2fd372d1-8
0.302
KIM-UNI-2ee5d8f9-1
0.302
PEI-IMP-3d837503-2
0.302
PAT-UNK-b2d83456-3
0.300
MAK-UNK-15efde89-1
0.299
MAK-UNK-b1d4dcd7-6
0.298
JAN-GHE-1d98ec1c-9
0.297
JAN-GHE-1d98ec1c-7
0.297
LON-WEI-b8d98729-4
0.297
PEI-IMP-3d837503-4
0.297
JON-UIO-066ce08b-3
0.297
WIL-LEE-23e8b574-3
0.296
MAK-UNK-6435e6c2-3
0.295
MAR-TRE-0fda4e82-52
0.294
MAK-UNK-7c9d1431-27
0.294
WIL-LEE-23e8b574-7
0.294
SCO-CSI-071a6f1c-1
0.294
JAN-GHE-1d98ec1c-3
0.293
JON-UIO-066ce08b-1
0.292
DRA-CSI-47e38074-13
0.292
MAK-UNK-f983951f-22
0.290
MAK-UNK-6435e6c2-2
0.290
DRA-CSI-47e38074-4
0.290
NAU-LAT-445f63e5-5
0.288
AHN-SAT-de2502ba-1
0.288
NAU-LAT-64f4b287-2
0.287
KEI-TRE-d5e2018a-36
0.287
ANT-DIA-b7f58f21-4
0.286
DUN-NEW-f8ce3686-25
0.286
VLA-UCB-05e51b3f-3
0.284
SAD-SAT-c989feaa-4
0.284
MAK-UNK-7c9d1431-12
0.284
EDJ-MED-3c65e9ce-3
0.282
DRA-CSI-47e38074-10
0.282
MAK-UNK-10dfa458-39
0.282
NAU-LAT-3f5f3993-4
0.280
DAN-MCD-5c762fbe-1
0.279
GIA-UNK-20b63697-7
0.279
AND-UNI-23ac02e4-1
0.279
DRA-CSI-47e38074-5
0.279
ALE-MCD-4ac17b19-1
0.278
MAR-TRE-6a44bbf2-65
0.278
MAK-UNK-7c9d1431-11
0.278
TAT-ENA-80bfd3e5-43
0.278
DRA-CSI-47e38074-14
0.278
KEN-MCD-6084b33e-1
0.278
GIA-UNK-5ec6c2b8-5
0.277
JAN-GHE-1d98ec1c-4
0.276
MAR-TRE-66ac689e-43
0.276
ANT-OPE-c0c3e7cc-1
0.275
MAR-SOS-82e3a7c7-4
0.275
MAR-SOS-c7881798-7
0.275
MAK-UNK-27459e11-12
0.274
MAK-UNK-212f693e-5
0.274
JAN-GHE-fd8d85a5-7
0.274
PEI-IMP-3d837503-1
0.274
JON-UIO-066ce08b-5
0.273
JAN-GHE-1d98ec1c-5
0.273
MIH-UNI-6b9ca91a-9
0.272