Molecular Properties | |
SMILES: | CCC(=O)N1CCC(Nc2ccsc2)CC1 |
MW: | 238.11 |
Fraction sp3: | 0.58 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 32.34 |
cLogP: | 2.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-212f693e-33
0.765
MAK-UNK-212f693e-13
0.750
MAK-UNK-212f693e-14
0.735
MAK-UNK-212f693e-20
0.673
MAK-UNK-212f693e-18
0.483
MAK-UNK-212f693e-35
0.483
WAR-XCH-b6889685-31
0.455
MAK-UNK-212f693e-7
0.410
NIR-THE-0d6461ce-1
0.397
MAK-UNK-212f693e-5
0.383
MAK-UNK-212f693e-16
0.377
NIR-THE-0d6461ce-9
0.377
MAK-UNK-e4a48a85-1
0.375
MAK-UNK-e4a48a85-2
0.368
MAK-UNK-212f693e-2
0.365
MAK-UNK-212f693e-31
0.364
MAK-UNK-212f693e-10
0.358
GIA-UNK-a79af1bc-1
0.353
MAK-UNK-212f693e-23
0.349
MAK-UNK-212f693e-34
0.348
GIA-UNK-995df016-7
0.344
MAK-UNK-212f693e-32
0.343
MAK-UNK-212f693e-24
0.333
MAT-POS-ee51dedd-2
0.328
MAK-UNK-212f693e-9
0.328
MAK-UNK-6ca90168-20
0.328
NIR-THE-0d6461ce-5
0.325
MAK-UNK-212f693e-21
0.323
MAK-UNK-212f693e-3
0.319
LON-WEI-8f408cad-7
0.318
MAK-UNK-212f693e-8
0.318
MAK-UNK-212f693e-15
0.318
AAR-POS-0daf6b7e-13
0.318
MAK-UNK-6435e6c2-3
0.317
SAD-SAT-6b5a89f0-10
0.316
MAK-UNK-6ca90168-22
0.315
MAK-UNK-212f693e-4
0.314
MAK-UNK-212f693e-1
0.312
MAK-UNK-6ca90168-19
0.311
MAK-UNK-212f693e-17
0.308
MAK-UNK-212f693e-11
0.306
WAR-XCH-79d12f6e-4
0.306
MAK-UNK-212f693e-25
0.304
MAK-UNK-212f693e-29
0.304
MAK-UNK-212f693e-27
0.304
MAK-UNK-212f693e-28
0.300
MAK-UNK-212f693e-22
0.300
MAK-UNK-212f693e-12
0.297
MAK-UNK-4c6b313a-1
0.297
MAK-UNK-6435e6c2-10
0.297
MAK-UNK-6435e6c2-11
0.297
NIR-THE-0d6461ce-7
0.293
MAK-UNK-212f693e-26
0.288
BEN-DND-09b88bf4-2
0.286
MAK-UNK-212f693e-30
0.286
BEN-DND-03406596-7
0.286
BEN-DND-6de5dfa0-1
0.286
MAK-UNK-acefcb18-6
0.286
AAR-POS-0daf6b7e-5
0.286
WAR-XCH-b6889685-35
0.284
JAR-KUA-41bd5a3d-9
0.282
SAD-SAT-bc31ec01-9
0.279
DAN-MCD-0c04f563-1
0.278
MAK-UNK-acefcb18-7
0.276
MAK-UNK-7264f48c-6
0.276
AHN-SAT-02ef6d10-9
0.275
MAK-UNK-212f693e-6
0.273
MAK-UNK-7264f48c-3
0.273
MAK-UNK-e4a48a85-24
0.273
NIC-BIO-25446079-4
0.272
LON-WEI-120e5cf5-10
0.270
DAN-MCD-7eba3d41-1
0.270
MAK-UNK-7264f48c-2
0.267
SAD-SAT-5b1897b2-9
0.267
JON-UIO-066ce08b-11
0.267
MAK-UNK-acefcb18-14
0.267
MAK-UNK-acefcb18-13
0.267
DRA-CSI-47e38074-2
0.266
MAK-UNK-e4a48a85-20
0.265
MAR-TRE-6a44bbf2-9
0.263
MAK-UNK-e4a48a85-21
0.262
DAN-MCD-a37c31cb-1
0.261
DAN-MCD-e5161b06-1
0.261
DAN-MCD-68a9aade-1
0.261
MAK-UNK-10dfa458-1
0.261
NIR-THE-0d6461ce-3
0.261
DAN-MCD-f396e45b-1
0.261
DAN-MCD-9cdc9f7f-1
0.261
MAR-TRE-6a44bbf2-12
0.260
ZAC-WAB-0847d168-1
0.260
MAR-TRE-e82e6c98-65
0.260
TAT-ENA-80bfd3e5-10
0.259
MAK-UNK-e4a48a85-23
0.258
MAK-UNK-acefcb18-12
0.258
SAD-SAT-bc31ec01-1
0.257
MAK-UNK-10dfa458-18
0.257
MAK-UNK-10dfa458-20
0.257
LON-WEI-120e5cf5-3
0.256
DAN-MCD-3ec20f87-1
0.256
DAN-MCD-c163c0bb-1
0.256