Molecular Properties | |
SMILES: | CC(=O)C1CCN(Cc2ccsc2)CC1 |
MW: | 223.1 |
Fraction sp3: | 0.58 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 20.31 |
cLogP: | 2.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine Extended REAL: | s_2230____10738202____12876094 |
Mcule: | MCULE-5554986808 |
MolPort: | MolPort-020-619-294 |
Ketones
Ketone
LON-WEI-8f408cad-3
AAR-POS-d2a4d1df-7
0.612
MAK-UNK-6435e6c2-3
0.600
MAK-UNK-212f693e-7
0.537
MAK-UNK-212f693e-6
0.528
MAK-UNK-a7992eb3-15
0.517
MAK-UNK-212f693e-8
0.500
AAR-POS-0daf6b7e-13
0.500
MAK-UNK-10dfa458-1
0.500
LON-WEI-8f408cad-7
0.500
MAK-UNK-10dfa458-20
0.491
MAK-UNK-a7992eb3-16
0.469
MAK-UNK-212f693e-17
0.464
MAK-UNK-009ebe36-10
0.452
MAK-UNK-212f693e-16
0.446
MAK-UNK-acefcb18-31
0.440
MAK-UNK-902cc841-2
0.425
MAK-UNK-a7992eb3-14
0.420
MAK-UNK-a7992eb3-1
0.412
MAK-UNK-a7992eb3-17
0.408
JAR-KUA-41bd5a3d-15
0.406
MAK-UNK-212f693e-35
0.387
MAK-UNK-a7992eb3-11
0.386
MAK-UNK-a7992eb3-13
0.380
GIA-UNK-5ec6c2b8-3
0.373
MAK-UNK-212f693e-34
0.365
MAK-UNK-212f693e-32
0.359
MAK-UNK-3f402c2b-22
0.358
MAK-UNK-a7992eb3-10
0.358
MAK-UNK-acefcb18-29
0.346
MAK-UNK-31051d4e-6
0.346
MAK-UNK-e4a48a85-16
0.343
MAK-UNK-a7992eb3-12
0.341
MAK-UNK-e4a48a85-20
0.325
MAK-UNK-212f693e-14
0.323
MAK-UNK-e4a48a85-21
0.321
MAK-UNK-212f693e-19
0.318
MAK-UNK-212f693e-2
0.317
MAK-UNK-31051d4e-5
0.313
AHN-SAT-02ef6d10-9
0.308
JAR-KUA-8c13982c-7
0.306
MAK-UNK-6ca90168-19
0.305
MAK-UNK-e4a48a85-22
0.305
MAK-UNK-212f693e-18
0.303
MAK-UNK-212f693e-23
0.302
MAK-UNK-212f693e-33
0.299
MAK-UNK-e4a48a85-15
0.297
PAT-UNK-b2d83456-3
0.296
MAK-UNK-212f693e-3
0.294
MAK-UNK-212f693e-13
0.294
GIA-UNK-595fac82-5
0.294
MAK-UNK-212f693e-20
0.292
CES-WAB-18e74d70-2
0.292
MAK-UNK-212f693e-5
0.290
MAK-UNK-212f693e-4
0.290
MAK-UNK-acefcb18-30
0.289
MAK-UNK-6435e6c2-2
0.286
MAK-UNK-e4a48a85-24
0.282
MAR-TRE-a9136c7b-89
0.282
AHN-SAT-02ef6d10-2
0.282
MAK-UNK-e4a48a85-25
0.281
MAK-UNK-acefcb18-27
0.279
MAK-UNK-212f693e-31
0.279
SAD-SAT-1f400d17-8
0.278
MAK-UNK-212f693e-21
0.277
MAK-UNK-212f693e-10
0.275
MAK-UNK-212f693e-22
0.275
ANN-UNI-26382800-7
0.273
MAK-UNK-6435e6c2-10
0.270
MAK-UNK-4c6b313a-1
0.270
MAK-UNK-6435e6c2-11
0.270
MAK-UNK-212f693e-24
0.269
MIH-UNI-6b9ca91a-1
0.268
SAD-SAT-7d5528d9-7
0.267
MAT-POS-ea426761-56
0.266
MAK-UNK-212f693e-1
0.266
MAK-UNK-e4a48a85-8
0.265
MAT-POS-ea426761-45
0.265
LON-WEI-4d77710c-25
0.265
LON-WEI-5e7d1b3e-25
0.265
MAK-UNK-212f693e-11
0.264
ALP-POS-6d04362c-3
0.263
MAK-UNK-902cc841-1
0.262
MAK-UNK-6ca90168-20
0.262
MAK-UNK-212f693e-29
0.261
MAK-UNK-212f693e-27
0.261
MAK-UNK-212f693e-25
0.261
DAR-DIA-842b4336-10
0.261
MAT-POS-ea426761-50
0.260
MAR-TRE-dab8f6ea-41
0.259
PET-UNK-55f647aa-3
0.259
DRA-CSI-47e38074-2
0.258
KIM-UNI-2ee5d8f9-1
0.258
MAK-UNK-212f693e-28
0.257
MAK-UNK-6ca90168-22
0.257
PET-UNK-b75fdf9f-3
0.256
SAD-SAT-7d5528d9-6
0.256
ALP-POS-bad7201a-9
0.256
SAD-SAT-bc31ec01-9
0.254
TRY-UNI-1fd04853-4
0.253
JAR-KUA-672ec752-7
0.253