Molecular Properties | |
SMILES: | CC(=O)N1CCC(Oc2ccsc2)NC1 |
MW: | 226.08 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 41.57 |
cLogP: | 1.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-212f693e-11
0.727
MAK-UNK-212f693e-2
0.554
MAK-UNK-212f693e-23
0.458
MAK-UNK-212f693e-4
0.453
MAK-UNK-212f693e-18
0.452
MAK-UNK-212f693e-21
0.450
MAK-UNK-212f693e-24
0.435
MAK-UNK-212f693e-27
0.422
MAK-UNK-212f693e-29
0.422
MAK-UNK-212f693e-31
0.422
MAK-UNK-212f693e-25
0.422
MAK-UNK-212f693e-26
0.418
MAK-UNK-212f693e-1
0.417
MAK-UNK-212f693e-10
0.415
MAK-UNK-212f693e-22
0.415
MAK-UNK-212f693e-28
0.415
MAK-UNK-212f693e-30
0.400
MAK-UNK-212f693e-16
0.371
MAK-UNK-212f693e-12
0.366
MAK-UNK-212f693e-14
0.365
MAK-UNK-6ca90168-19
0.328
MAK-UNK-212f693e-35
0.324
MAK-UNK-212f693e-19
0.319
MAK-UNK-212f693e-5
0.312
MAK-UNK-6435e6c2-3
0.312
MAK-UNK-6435e6c2-10
0.312
MAK-UNK-6435e6c2-11
0.312
MAK-UNK-4c6b313a-1
0.312
MAK-UNK-212f693e-9
0.304
MAK-UNK-212f693e-15
0.294
MAK-UNK-212f693e-20
0.294
MAK-UNK-212f693e-34
0.286
MAK-UNK-212f693e-33
0.282
MAK-UNK-212f693e-32
0.282
MAK-UNK-212f693e-13
0.278
MAK-UNK-212f693e-17
0.265
DRA-CSI-47e38074-2
0.262
SAD-SAT-bc31ec01-9
0.257
JON-UNI-bb9dc649-20
0.256
MAK-UNK-acefcb18-12
0.254
JON-UIO-066ce08b-5
0.254
MAK-UNK-10dfa458-46
0.250
WAR-XCH-b6889685-19
0.250
MAK-UNK-902cc841-14
0.250
JON-UNI-bb9dc649-6
0.247
MAK-UNK-902cc841-13
0.245
MAK-UNK-6ca90168-22
0.244
JON-UNI-bb9dc649-13
0.244
MAK-UNK-212f693e-7
0.243
DRA-CSI-47e38074-12
0.236
MAK-UNK-10dfa458-18
0.236
AHN-SAT-02ef6d10-9
0.236
MAK-UNK-10dfa458-20
0.236
MAK-UNK-e4a48a85-2
0.235
AAR-POS-d2a4d1df-14
0.235
HEI-REL-0c990a45-3
0.235
DAN-MCD-0c04f563-1
0.234
JON-UNI-bb9dc649-9
0.234
UNK-UNK-2ede4078-84
0.233
MAT-POS-ee51dedd-2
0.233
JON-UNI-bb9dc649-5
0.233
MAK-UNK-212f693e-6
0.232
MAK-UNK-6435e6c2-2
0.232
MAK-UNK-902cc841-4
0.232
MAK-UNK-902cc841-6
0.232
MAT-POS-ea426761-89
0.231
BEN-VAN-d8fd1356-26
0.230
JON-UNI-bb9dc649-3
0.229
SAD-SAT-2fd372d1-4
0.229
MAK-UNK-6ca90168-20
0.229
MAK-UNK-6435e6c2-1
0.229
MAK-UNK-e4a48a85-24
0.228
MAK-UNK-902cc841-10
0.228
JON-UNI-bb9dc649-8
0.228
MAK-UNK-902cc841-17
0.227
MAK-UNK-902cc841-18
0.227
MAK-UNK-902cc841-2
0.227
MAK-UNK-a7992eb3-14
0.227
DRA-CSI-47e38074-13
0.225
JON-UNI-bb9dc649-14
0.225
JON-UNI-bb9dc649-15
0.225
BEN-VAN-d8fd1356-27
0.225
MAK-UNK-acefcb18-14
0.223
MAK-UNK-a7992eb3-11
0.223
AAR-POS-0daf6b7e-13
0.222
MAK-UNK-902cc841-1
0.222
MAK-UNK-212f693e-8
0.222
MAK-UNK-10dfa458-1
0.222
AHN-SAT-02ef6d10-4
0.222
NIM-UNI-43fe0159-10
0.222
JON-UNI-bb9dc649-2
0.222
LON-WEI-8f408cad-7
0.222
DAN-MCD-93e7aadc-1
0.221
BEN-VAN-d8fd1356-25
0.221
MAR-TRE-be9ff7d2-88
0.221
AAR-POS-fca48359-5
0.221
MAK-UNK-ed378e62-31
0.221
AAR-POS-d2a4d1df-7
0.221
JOH-MR_-42fa5481-3
0.220
MAK-UNK-e4a48a85-1
0.220