Molecular Properties | |
SMILES: | COc1ccc2oc(C3CCCC3)cc(=O)c2c1 |
MW: | 244.11 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 39.44 |
cLogP: | 3.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter14_thio_oxopyrylium_salt
LYN-UNI-c2dd631d-4
0.923
LYN-UNI-c2dd631d-10
0.843
LYN-UNI-b265e4fd-8
0.587
LYN-UNI-0d9431a4-1
0.583
LYN-UNI-7bb260d6-4
0.540
LYN-UNI-aac70ff6-1
0.540
LYN-UNI-0d9431a4-5
0.493
LYN-UNI-0d9431a4-4
0.486
LYN-UNI-0d9431a4-6
0.476
LYN-UNI-c2dd631d-11
0.468
LYN-UNI-0d9431a4-3
0.459
LYN-UNI-c2dd631d-15
0.426
LYN-UNI-7bb260d6-11
0.414
LYN-UNI-c2dd631d-3
0.406
LYN-UNI-7bb260d6-1
0.397
LYN-UNI-c2dd631d-9
0.382
LYN-UNI-b265e4fd-4
0.367
LYN-UNI-c2dd631d-5
0.362
LYN-UNI-7bb260d6-6
0.342
LYN-UNI-c2dd631d-1
0.306
LYN-UNI-7bb260d6-3
0.297
LYN-UNI-b265e4fd-2
0.289
LYN-UNI-b265e4fd-6
0.278
LYN-UNI-c2dd631d-2
0.260
MAR-UNI-c84db004-7
0.247
MAK-UNK-c8c8f7e2-37
0.244
MAK-UNK-7a704a63-21
0.244
MAR-TRE-fd17a9b8-57
0.241
MAR-UNI-c84db004-2
0.234
MAT-POS-4e253971-3
0.228
MAT-POS-f9802937-7
0.228
ALF-EVA-0b412456-2
0.226
LYN-UNI-c2dd631d-14
0.225
MAT-POS-ec6d90b7-6
0.223
EDJ-MED-611d11e7-8
0.223
MAT-POS-96f51285-6
0.223
LYN-UNI-c2dd631d-8
0.222
JOH-MEM-5e386bbd-4
0.222
EDJ-MED-611d11e7-9
0.221
MAT-POS-96f51285-3
0.221
JON-UNI-bb9dc649-13
0.220
AUS-ARG-7cfdce8f-3
0.219
JOH-MSK-a63bdd1d-8
0.218
RAL-THA-05e671eb-14
0.218
DAR-DIA-eace69ff-35
0.216
MAR-TRE-92684b97-73
0.216
AMD-UAU-3d234461-1
0.215
BAR-COM-0f94fc3d-50
0.215
MAR-UNI-c84db004-5
0.215
MAR-TRE-fd17a9b8-36
0.212
MAR-TRE-6a44bbf2-82
0.212
PET-UNK-fe31e24a-1
0.210
ALP-POS-f1807566-2
0.210
PET-UNK-fe31e24a-5
0.208
EDJ-MED-b6c6ee2b-2
0.207
RAL-THA-05e671eb-8
0.206
MAR-UCB-195bc32d-37
0.205
EDJ-MED-b6c6ee2b-3
0.205
MIK-ENA-60569a44-1
0.205
MIK-ENA-bb7b6957-1
0.205
AUS-ARG-7cfdce8f-4
0.204
BAR-COM-0f94fc3d-43
0.204
PET-UNK-fe31e24a-3
0.204
EDJ-MED-1b5395f9-1
0.204
EDJ-MED-1b5395f9-3
0.204
EDJ-MED-1b5395f9-2
0.204
MAT-POS-b5746674-65
0.202
BAR-COM-0f94fc3d-17
0.202
CHR-GRO-51f79798-3
0.202
JUL-TUD-06b2044f-74
0.202
LYN-UNI-7bb260d6-8
0.200
JOH-MSK-ec639444-3
0.200
MAR-TRE-be9ff7d2-7
0.200
MAK-UNK-7a704a63-23
0.198
JOH-MSK-a63bdd1d-7
0.197
JAG-UCB-c61058a9-46
0.196
MAR-TRE-ebcc4ad6-36
0.195
MAR-UCB-195bc32d-15
0.195
JUL-TUD-06b2044f-77
0.194
JAG-UCB-52b62a6f-8
0.194
KEI-TRE-d5e2018a-49
0.194
MAT-POS-b5746674-114
0.194
LUO-POS-e1dab717-5
0.193
MAR-TRE-d3c2bf0e-32
0.193
MAR-TRE-36bf7dba-54
0.193
PET-UNK-fe31e24a-7
0.193
ALP-POS-e2fddb0f-1
0.192
RAL-MED-9a5eb9cb-17
0.192
JAG-UCB-c61058a9-31
0.192
MAT-POS-b5746674-64
0.192
EDJ-MED-00c1612e-1
0.191
PET-UNK-8df914d1-1
0.191
MAR-UNI-c84db004-9
0.191
MAK-UNK-c8c8f7e2-32
0.190
MAR-UCB-195bc32d-21
0.190
ALP-POS-ce760d3f-6
0.190
JOH-MSK-35a8745a-1
0.190
ALE-ACE-2610ee4d-1
0.190
JAG-UCB-52b62a6f-10
0.190
MAR-UNI-9ca61fdc-1
0.190