Molecular Properties | |
SMILES: | CC(=O)C1CCC(Cc2ccsc2)CC1 |
MW: | 222.11 |
Fraction sp3: | 0.62 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 17.07 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Ketones
Ketone
LON-WEI-8f408cad-3
MAK-UNK-212f693e-16
0.612
MAK-UNK-212f693e-35
0.556
MAK-UNK-212f693e-34
0.500
MAK-UNK-212f693e-32
0.491
MAK-UNK-212f693e-15
0.464
AHN-SAT-02ef6d10-9
0.431
MAK-UNK-6435e6c2-3
0.368
MAK-UNK-212f693e-7
0.328
MAK-UNK-212f693e-14
0.311
DRA-CSI-47e38074-2
0.310
MAK-UNK-212f693e-19
0.308
AAR-POS-d2a4d1df-7
0.305
MAK-UNK-212f693e-6
0.295
MAK-UNK-3f402c2b-22
0.290
MAK-UNK-212f693e-2
0.286
MAK-UNK-10dfa458-1
0.281
MAK-UNK-212f693e-8
0.281
LON-WEI-8f408cad-7
0.281
AAR-POS-0daf6b7e-13
0.281
MAK-UNK-10dfa458-20
0.277
AAR-POS-fca48359-5
0.275
MIH-UNI-6b9ca91a-1
0.275
MAK-UNK-902cc841-2
0.275
MAK-UNK-212f693e-18
0.273
MAK-UNK-acefcb18-15
0.273
MAK-UNK-acefcb18-8
0.271
MAK-UNK-6ca90168-19
0.271
MAK-UNK-212f693e-33
0.269
MAK-UNK-212f693e-3
0.265
MAK-UNK-212f693e-13
0.265
MAK-UNK-acefcb18-31
0.262
MAK-UNK-212f693e-20
0.262
MAK-UNK-acefcb18-12
0.259
MAK-UNK-6435e6c2-10
0.258
MAK-UNK-212f693e-5
0.258
MAK-UNK-4c6b313a-1
0.258
MAK-UNK-6435e6c2-11
0.258
DRA-CSI-47e38074-3
0.258
DRA-CSI-47e38074-12
0.258
MAK-UNK-a7992eb3-14
0.256
MAK-UNK-212f693e-1
0.254
MAK-UNK-a7992eb3-15
0.254
MAK-UNK-212f693e-23
0.250
ASH-UNK-40b46b30-2
0.250
DAR-DIA-842b4336-10
0.250
SAD-SAT-6b5a89f0-10
0.250
THO-SYG-98fc3427-8
0.247
THO-SYG-98fc3427-10
0.244
MAK-UNK-e4a48a85-24
0.244
DRA-CSI-47e38074-13
0.243
MAK-UNK-212f693e-4
0.243
THO-SYG-98fc3427-9
0.241
LON-WEI-4d77710c-31
0.241
MAT-POS-2492181e-5
0.241
LON-WEI-5e7d1b3e-31
0.241
MAK-UNK-10dfa458-10
0.239
DRA-CSI-47e38074-4
0.239
ANT-DIA-045cfdc4-1
0.239
MAK-UNK-acefcb18-3
0.239
AAR-POS-d2a4d1df-14
0.238
MAK-UNK-009ebe36-10
0.238
MAK-UNK-e4a48a85-2
0.237
MAK-UNK-a7992eb3-11
0.237
MAK-UNK-e4a48a85-1
0.237
MAK-UNK-af83ef51-6
0.236
MAK-UNK-212f693e-11
0.236
MAK-UNK-e4a48a85-20
0.235
JAR-KUA-41bd5a3d-15
0.234
UNK-UNK-2ede4078-68
0.234
MAK-UNK-212f693e-31
0.232
MAK-UNK-e4a48a85-21
0.232
PET-UNK-b75fdf9f-3
0.232
LAU-FAC-e2c8b4ad-1
0.231
MAK-UNK-31051d4e-5
0.230
DRA-CSI-47e38074-14
0.230
MAK-UNK-212f693e-10
0.229
MAK-UNK-212f693e-22
0.229
MAK-UNK-212f693e-21
0.227
MAK-UNK-a7992eb3-16
0.227
MAT-POS-ea426761-45
0.226
LON-WEI-5e7d1b3e-25
0.226
LON-WEI-4d77710c-25
0.226
MAT-POS-590ac91e-5
0.225
LIZ-THE-60ec5b32-1
0.225
NIC-BIO-a68395b7-1
0.225
THO-SYG-98fc3427-11
0.225
ALP-POS-a3de0cb1-10
0.225
MAK-UNK-acefcb18-10
0.224
SAD-SAT-bc31ec01-9
0.224
DRA-CSI-47e38074-11
0.224
AAR-POS-fca48359-4
0.224
MIH-UNI-6b9ca91a-2
0.224
MAK-UNK-ed378e62-29
0.222
ALP-POS-c59291d4-3
0.222
DRA-CSI-47e38074-5
0.222
PET-UNK-1901c25b-1
0.222
RUT-UNI-630c5802-4
0.221
ANT-DIA-045cfdc4-2
0.221
MAK-UNK-212f693e-24
0.221
ALP-POS-bad7201a-9
0.220