Molecular Properties | |
SMILES: | CC(=O)N1CCC(Cc2ccsc2)CC1 |
MW: | 223.1 |
Fraction sp3: | 0.58 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 20.31 |
cLogP: | 2.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-212f693e-35
0.766
MAK-UNK-212f693e-34
0.729
MAK-UNK-212f693e-32
0.714
MAK-UNK-212f693e-17
0.612
DRA-CSI-47e38074-2
0.531
AHN-SAT-02ef6d10-9
0.519
MAK-UNK-6435e6c2-3
0.481
MAK-UNK-212f693e-14
0.463
MAK-UNK-212f693e-15
0.446
MAK-UNK-212f693e-2
0.429
AAR-POS-fca48359-5
0.426
DRA-CSI-47e38074-12
0.390
DRA-CSI-47e38074-3
0.390
MAK-UNK-212f693e-7
0.379
MAK-UNK-212f693e-19
0.377
MAK-UNK-4c6b313a-1
0.375
MAK-UNK-6435e6c2-11
0.375
MAK-UNK-6435e6c2-10
0.375
MAK-UNK-212f693e-3
0.371
MAK-UNK-6ca90168-19
0.370
MAK-UNK-212f693e-6
0.368
MAK-UNK-10dfa458-10
0.359
DRA-CSI-47e38074-4
0.359
DRA-CSI-47e38074-13
0.358
DRA-CSI-47e38074-5
0.357
AAR-POS-d2a4d1df-7
0.357
MAK-UNK-212f693e-33
0.355
MAK-UNK-af83ef51-6
0.354
JON-UNI-bb9dc649-9
0.354
MAK-UNK-212f693e-5
0.351
LON-WEI-8f408cad-7
0.350
AAR-POS-0daf6b7e-13
0.350
MAK-UNK-212f693e-20
0.350
MAK-UNK-10dfa458-1
0.350
MAK-UNK-212f693e-8
0.350
MAK-UNK-212f693e-13
0.349
DRA-CSI-47e38074-10
0.348
MAK-UNK-902cc841-2
0.347
MAK-UNK-212f693e-1
0.345
MAK-UNK-10dfa458-20
0.344
DRA-CSI-47e38074-14
0.343
MAK-UNK-212f693e-23
0.339
MAK-UNK-212f693e-18
0.339
NIR-THE-0d6461ce-8
0.333
DRA-CSI-47e38074-11
0.333
DRA-CSI-47e38074-16
0.333
DRA-CSI-47e38074-6
0.315
MAK-UNK-10dfa458-40
0.314
MAK-UNK-212f693e-11
0.313
MAK-UNK-3f402c2b-22
0.313
MAK-UNK-212f693e-31
0.312
MAK-UNK-212f693e-21
0.311
DRA-CSI-47e38074-15
0.311
DRA-CSI-47e38074-7
0.311
MAK-UNK-acefcb18-12
0.309
MAK-UNK-212f693e-10
0.308
HEI-REL-0c990a45-3
0.307
SAD-SAT-bc31ec01-9
0.306
AAR-POS-fca48359-4
0.304
MAK-UNK-212f693e-4
0.303
MAK-UNK-212f693e-24
0.302
DRA-CSI-47e38074-9
0.299
NIR-THE-0d6461ce-4
0.299
MAT-POS-ee51dedd-2
0.297
MAK-UNK-6435e6c2-1
0.295
MAK-UNK-a7992eb3-15
0.294
MAR-TRE-6c5ef77a-34
0.293
MAK-UNK-e4a48a85-24
0.293
MAK-UNK-212f693e-25
0.292
MAK-UNK-212f693e-27
0.292
DAR-DIA-842b4336-10
0.292
MAK-UNK-212f693e-29
0.292
MAK-UNK-e4a48a85-2
0.289
MAK-UNK-212f693e-22
0.288
MAK-UNK-212f693e-28
0.288
MAK-UNK-009ebe36-10
0.287
MAK-UNK-a7992eb3-14
0.287
MAK-UNK-e4a48a85-20
0.286
MAK-UNK-6ca90168-22
0.286
GIA-UNK-995df016-6
0.286
MAK-UNK-e4a48a85-21
0.282
MAK-UNK-10dfa458-18
0.281
JON-UIO-066ce08b-5
0.281
MAK-UNK-acefcb18-31
0.280
DRA-CSI-47e38074-8
0.280
MIH-UNI-6b9ca91a-1
0.279
MAK-UNK-6435e6c2-2
0.279
SAD-SAT-6b5a89f0-10
0.278
MAK-UNK-10dfa458-46
0.277
NIC-BIO-a68395b7-1
0.276
MAK-UNK-212f693e-26
0.275
MAK-UNK-6ca90168-20
0.274
MAK-UNK-e4a48a85-1
0.274
MAK-UNK-212f693e-30
0.273
RED-RED-10c9212c-26
0.272
JON-UNI-bb9dc649-13
0.268
DAN-MCD-93e7aadc-1
0.267
MAK-UNK-a7992eb3-11
0.266
MAT-POS-ea426761-89
0.265
WIL-LEE-23e8b574-5
0.265