Molecular Properties | |
SMILES: | COc1ccc2oc(C3CCCCC3)cc(=O)c2c1 |
MW: | 258.13 |
Fraction sp3: | 0.44 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 39.44 |
cLogP: | 3.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter14_thio_oxopyrylium_salt
LYN-UNI-0d9431a4-2
0.923
LYN-UNI-c2dd631d-10
0.811
LYN-UNI-b265e4fd-8
0.645
LYN-UNI-aac70ff6-1
0.597
LYN-UNI-7bb260d6-4
0.597
LYN-UNI-0d9431a4-5
0.544
LYN-UNI-0d9431a4-1
0.540
LYN-UNI-0d9431a4-4
0.535
LYN-UNI-0d9431a4-6
0.532
LYN-UNI-0d9431a4-3
0.507
LYN-UNI-c2dd631d-3
0.456
LYN-UNI-c2dd631d-11
0.453
LYN-UNI-c2dd631d-9
0.427
LYN-UNI-c2dd631d-15
0.414
LYN-UNI-b265e4fd-4
0.410
LYN-UNI-c2dd631d-5
0.405
LYN-UNI-7bb260d6-11
0.403
LYN-UNI-7bb260d6-1
0.387
LYN-UNI-7bb260d6-6
0.368
LYN-UNI-c2dd631d-1
0.297
LYN-UNI-7bb260d6-3
0.289
LYN-UNI-c2dd631d-2
0.286
LYN-UNI-b265e4fd-2
0.282
LYN-UNI-b265e4fd-6
0.272
MAR-UNI-c84db004-7
0.242
MAK-UNK-c8c8f7e2-37
0.237
MAK-UNK-7a704a63-21
0.237
MAR-TRE-fd17a9b8-57
0.235
MAR-UNI-c84db004-2
0.229
MAT-POS-f9802937-7
0.223
MAT-POS-4e253971-3
0.222
LYN-UNI-c2dd631d-14
0.220
EDJ-MED-611d11e7-8
0.219
MAT-POS-ec6d90b7-6
0.219
MAT-POS-96f51285-6
0.219
MAT-POS-96f51285-3
0.217
EDJ-MED-611d11e7-9
0.217
LYN-UNI-c2dd631d-8
0.217
JOH-MEM-5e386bbd-4
0.217
ABI-SAT-aa268ad7-7
0.216
JON-UNI-bb9dc649-13
0.214
AUS-ARG-7cfdce8f-3
0.214
RAL-THA-05e671eb-14
0.214
JOH-MSK-a63bdd1d-8
0.212
ALF-EVA-0b412456-2
0.211
BAR-COM-0f94fc3d-50
0.211
CHR-GRO-51f79798-3
0.211
DAR-DIA-eace69ff-35
0.211
MAR-UNI-c84db004-5
0.211
AMD-UAU-3d234461-1
0.210
MAR-TRE-fd17a9b8-36
0.208
MAR-TRE-6a44bbf2-82
0.207
ALP-POS-f1807566-2
0.206
PET-UNK-fe31e24a-1
0.206
PET-UNK-fe31e24a-5
0.204
RAL-THA-05e671eb-8
0.202
MIK-ENA-60569a44-1
0.202
EDJ-MED-b6c6ee2b-3
0.202
MIK-ENA-bb7b6957-1
0.202
AUS-ARG-7cfdce8f-4
0.200
BAR-COM-0f94fc3d-43
0.200
EDJ-MED-1b5395f9-1
0.200
MAR-UCB-195bc32d-37
0.200
EDJ-MED-1b5395f9-2
0.200
EDJ-MED-1b5395f9-3
0.200
CHO-MSK-6e55470f-7
0.200
PET-UNK-fe31e24a-3
0.200
DRA-CSI-7ec17797-17
0.200
MAR-TRE-04c86cea-20
0.198
DAR-DIA-5d6f1b43-21
0.198
JUL-TUD-06b2044f-74
0.198
BAR-COM-0f94fc3d-17
0.198
MAR-TRE-92684b97-73
0.198
MAT-POS-b5746674-65
0.198
MAR-TRE-be9ff7d2-7
0.196
LYN-UNI-7bb260d6-8
0.195
JOH-MSK-ec639444-3
0.195
MAR-TRE-04c86cea-11
0.194
EDJ-MED-b6c6ee2b-2
0.193
MAT-UCB-93f6aed8-1
0.193
MAK-UNK-7a704a63-23
0.193
JAG-UCB-c61058a9-46
0.193
JOH-MSK-a63bdd1d-7
0.192
JUL-TUD-06b2044f-77
0.191
MAR-UCB-195bc32d-15
0.190
MAR-TRE-ebcc4ad6-36
0.190
JAG-UCB-52b62a6f-8
0.190
LUO-POS-e1dab717-5
0.190
KEI-TRE-d5e2018a-49
0.190
ABI-SAT-aa268ad7-8
0.190
CHO-MSK-6e55470f-2
0.190
MAT-POS-b5746674-114
0.189
PET-UNK-fe31e24a-7
0.189
MAR-TRE-36bf7dba-54
0.189
MAR-TRE-d3c2bf0e-32
0.189
ALP-POS-e2fddb0f-1
0.189
JAG-UCB-c61058a9-31
0.188
MAT-POS-b5746674-64
0.188
RAL-MED-9a5eb9cb-17
0.188
EDJ-MED-00c1612e-1
0.188