Molecular Properties | |
SMILES: | O=C(CO)N1CCC(Cc2ccsc2)CC1 |
MW: | 239.1 |
Fraction sp3: | 0.58 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 40.54 |
cLogP: | 1.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-212f693e-35
0.760
MAK-UNK-212f693e-32
0.745
MAK-UNK-212f693e-16
0.729
MAK-UNK-212f693e-17
0.500
MAK-UNK-212f693e-33
0.483
AHN-SAT-02ef6d10-9
0.475
MAK-UNK-212f693e-31
0.459
DRA-CSI-47e38074-2
0.379
MAK-UNK-212f693e-7
0.371
MAK-UNK-af83ef51-6
0.368
MAK-UNK-6435e6c2-3
0.367
LON-WEI-8f408cad-7
0.365
AAR-POS-0daf6b7e-13
0.365
MAK-UNK-212f693e-15
0.365
MAK-UNK-212f693e-8
0.365
AAR-POS-d2a4d1df-7
0.350
MAK-UNK-212f693e-19
0.348
NIR-THE-0d6461ce-8
0.348
MAK-UNK-10dfa458-40
0.347
NIR-THE-0d6461ce-4
0.346
MAK-UNK-212f693e-13
0.343
MAK-UNK-212f693e-6
0.339
DRA-CSI-47e38074-12
0.338
DRA-CSI-47e38074-3
0.338
MAK-UNK-212f693e-18
0.333
DRA-CSI-47e38074-4
0.333
MAK-UNK-212f693e-14
0.333
DRA-CSI-47e38074-5
0.328
MAK-UNK-212f693e-10
0.324
MAK-UNK-10dfa458-1
0.323
DRA-CSI-47e38074-14
0.319
MAK-UNK-10dfa458-20
0.318
RED-RED-10c9212c-26
0.317
DRA-CSI-47e38074-13
0.315
MAK-UNK-10dfa458-10
0.314
AAR-POS-fca48359-5
0.314
MAK-UNK-212f693e-23
0.312
DRA-CSI-47e38074-11
0.311
MAK-UNK-212f693e-11
0.310
MAK-UNK-3f402c2b-22
0.310
MAK-UNK-212f693e-2
0.308
MAK-UNK-e4a48a85-1
0.307
DRA-CSI-47e38074-10
0.306
MAK-UNK-212f693e-20
0.303
MAK-UNK-6ca90168-22
0.301
MAK-UNK-e4a48a85-20
0.300
MAK-UNK-212f693e-1
0.297
MAK-UNK-e4a48a85-21
0.296
MAT-POS-ee51dedd-2
0.294
MAK-UNK-212f693e-9
0.294
MAK-UNK-902cc841-2
0.293
MAK-UNK-6ca90168-20
0.292
MAK-UNK-a7992eb3-15
0.292
DRA-CSI-47e38074-7
0.291
MAK-UNK-e4a48a85-24
0.291
DRA-CSI-47e38074-16
0.290
MAK-UNK-212f693e-21
0.288
MAK-UNK-212f693e-3
0.286
GIA-UNK-20b63697-8
0.286
MAK-UNK-6435e6c2-11
0.281
MAK-UNK-4c6b313a-1
0.281
MAK-UNK-6435e6c2-10
0.281
DRA-CSI-47e38074-9
0.280
MAK-UNK-212f693e-24
0.279
MAK-UNK-acefcb18-31
0.279
DRA-CSI-47e38074-6
0.278
DRA-CSI-47e38074-15
0.275
MAK-UNK-6ca90168-19
0.274
LON-WEI-4d77710c-25
0.274
LON-WEI-5e7d1b3e-25
0.274
MAT-POS-ea426761-45
0.274
MAK-UNK-e4a48a85-2
0.272
MAK-UNK-212f693e-27
0.271
DAR-DIA-842b4336-10
0.271
MAK-UNK-212f693e-29
0.271
MAK-UNK-212f693e-25
0.271
MAK-UNK-a7992eb3-1
0.271
MAK-UNK-009ebe36-10
0.271
AAR-POS-fca48359-4
0.271
MAK-UNK-212f693e-28
0.268
MAK-UNK-212f693e-22
0.268
MAK-UNK-e4a48a85-22
0.267
NIR-THE-0d6461ce-6
0.265
WAR-XCH-b0339bbe-3
0.265
MAK-UNK-987948f6-15
0.264
DRA-CSI-47e38074-8
0.263
MAK-UNK-acefcb18-12
0.262
MAK-UNK-212f693e-5
0.262
MAK-UNK-e4a48a85-25
0.261
MAK-UNK-212f693e-26
0.257
JON-UNI-bb9dc649-9
0.257
MAK-UNK-212f693e-30
0.254
DAN-MCD-93e7aadc-1
0.253
MAR-TRE-f6f5f473-48
0.250
MAK-UNK-212f693e-12
0.250
NIM-UNI-43fe0159-4
0.250
MAK-UNK-31051d4e-5
0.247
MAK-UNK-a7992eb3-16
0.247
GIA-UNK-5ec6c2b8-5
0.246
SAD-SAT-bc31ec01-9
0.246