Molecular Properties | |
SMILES: | COc1ccc2c(=O)cc(CC3CCCCC3)oc2c1 |
MW: | 272.14 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 39.44 |
cLogP: | 3.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter14_thio_oxopyrylium_salt
LYN-UNI-b265e4fd-8
0.529
LYN-UNI-c2dd631d-2
0.507
LYN-UNI-c2dd631d-1
0.441
LYN-UNI-7bb260d6-3
0.408
LYN-UNI-b265e4fd-2
0.397
LYN-UNI-b265e4fd-6
0.382
LYN-UNI-c2dd631d-4
0.368
MAR-UNI-c84db004-7
0.353
LYN-UNI-0d9431a4-2
0.342
MAR-UNI-c84db004-2
0.333
LYN-UNI-c2dd631d-10
0.324
LYN-UNI-c2dd631d-8
0.321
LYN-UNI-c2dd631d-3
0.312
LYN-UNI-c2dd631d-14
0.291
LYN-UNI-c2dd631d-15
0.278
LYN-UNI-7bb260d6-4
0.278
MAR-UNI-c84db004-20
0.278
LYN-UNI-7bb260d6-11
0.272
LYN-UNI-c2dd631d-9
0.267
KRI-MAR-d2e3ef86-8
0.263
LYN-UNI-7bb260d6-1
0.262
LYN-UNI-0d9431a4-6
0.260
LYN-UNI-b265e4fd-4
0.258
LYN-UNI-c2dd631d-5
0.256
MAR-TRE-ebcc4ad6-36
0.244
SAN-PRS-52b81272-1
0.241
MAR-TRE-fd17a9b8-36
0.240
MAR-TRE-04c86cea-20
0.239
DRA-CSI-47e38074-13
0.235
MAR-TRE-f6f5f473-53
0.235
JOH-MSK-ec639444-3
0.235
EDJ-MED-c8e7a002-1
0.234
LYN-UNI-0d9431a4-4
0.233
MAT-UCB-93f6aed8-1
0.232
LYN-UNI-aac70ff6-1
0.232
LYN-UNI-b265e4fd-5
0.231
MAR-TRE-b77b7921-16
0.230
MAR-TRE-b77b7921-59
0.230
DAR-DIA-eace69ff-29
0.230
MAR-TRE-fd17a9b8-57
0.230
JAG-UCB-52b62a6f-10
0.229
NIM-UNI-bb9030bf-10
0.228
FRA-LAB-04e32718-1
0.227
LYN-UNI-7bb260d6-13
0.227
LYN-UNI-7bb260d6-5
0.225
LYN-UNI-7bb260d6-14
0.225
ALP-POS-3fc1724e-7
0.224
JON-UNI-bb9dc649-13
0.224
LYN-UNI-b265e4fd-1
0.224
LYN-UNI-c2dd631d-12
0.222
DRA-CSI-47e38074-6
0.222
MAR-TRE-0fda4e82-74
0.222
MAR-TRE-b77b7921-22
0.221
MAR-TRE-04c86cea-56
0.221
JOH-MEM-5e386bbd-2
0.221
JOH-MEM-5e386bbd-1
0.221
LYN-UNI-7bb260d6-2
0.220
ALP-POS-e2fddb0f-1
0.219
MAT-POS-136e7878-2
0.219
BAR-COM-0f94fc3d-17
0.219
BAR-COM-0f94fc3d-39
0.219
MAR-UNI-c84db004-5
0.219
MAR-TRE-92684b97-83
0.218
JOH-IMS-0f19a540-8
0.218
SID-ELM-b654bfa2-8
0.218
BRU-UNI-248b30bc-29
0.217
WAR-XCH-72a8c209-3
0.217
SAL-UNI-60119594-8
0.217
JAN-GHE-76def03c-3
0.217
LYN-UNI-b265e4fd-10
0.217
MAK-UNK-194150d3-11
0.216
MAK-UNK-7c9d1431-30
0.216
MAR-TRE-6a44bbf2-45
0.216
SID-ELM-8b394441-17
0.216
MAR-TRE-6a44bbf2-82
0.216
LYN-UNI-0d9431a4-5
0.216
SID-ELM-2583a2cd-19
0.214
MAR-TRE-1c920f6f-50
0.214
LYN-UNI-b265e4fd-3
0.214
LYN-UNI-b265e4fd-7
0.214
MAR-TRE-04c86cea-25
0.213
LYN-UNI-c2dd631d-6
0.213
JOH-ILL-da934517-2
0.211
MAR-UCB-195bc32d-37
0.211
NIM-UNI-310206f0-48
0.210
JOH-MSK-35a8745a-1
0.209
MAR-UCB-195bc32d-21
0.209
ALE-ACE-2610ee4d-1
0.209
ALE-EST-30179844-1
0.209
DRA-CSI-47e38074-8
0.209
MAR-UNI-c84db004-9
0.209
JAG-UCB-c61058a9-31
0.208
LYN-UNI-0d9431a4-1
0.207
DRA-CSI-7ec17797-17
0.207
WAR-XCH-b6889685-43
0.207
NAU-LAT-64f4b287-4
0.207
SID-ELM-b654bfa2-11
0.207
SID-ELM-8b394441-21
0.207
JOH-UNK-14e6adc5-8
0.207
MAR-TRE-fffca54f-31
0.207