Molecular Properties | |
SMILES: | O=c1cc(C2CCCCC2)oc2ccc(O)cc12 |
MW: | 244.11 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 50.44 |
cLogP: | 3.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter14_thio_oxopyrylium_salt
LYN-UNI-aac70ff6-1
0.627
LYN-UNI-c2dd631d-4
0.597
LYN-UNI-0d9431a4-5
0.569
LYN-UNI-0d9431a4-1
0.567
LYN-UNI-0d9431a4-6
0.559
LYN-UNI-0d9431a4-4
0.559
LYN-UNI-0d9431a4-3
0.551
LYN-UNI-0d9431a4-2
0.540
LYN-UNI-c2dd631d-2
0.524
LYN-UNI-c2dd631d-3
0.477
LYN-UNI-c2dd631d-11
0.475
LYN-UNI-b265e4fd-8
0.456
LYN-UNI-c2dd631d-10
0.453
LYN-UNI-b265e4fd-4
0.446
LYN-UNI-c2dd631d-9
0.444
LYN-UNI-c2dd631d-5
0.421
LYN-UNI-b265e4fd-7
0.366
LYN-UNI-7bb260d6-6
0.278
LYN-UNI-c2dd631d-14
0.228
MAR-TRE-e86a56b5-57
0.212
BEN-DND-c852c98b-4
0.202
EDJ-MED-ba7e64f2-1
0.202
TER-UNK-b9d4d16f-1
0.200
CHO-MSK-6e55470f-7
0.195
LYN-UNI-7bb260d6-7
0.192
ABI-SAT-aa268ad7-7
0.192
CLI-TLC-6e8ddb09-1
0.191
AAR-UNI-c25c2f1e-4
0.191
MAR-TRE-e86a56b5-15
0.190
MAR-UCB-195bc32d-4
0.190
ADA-UCB-dc2b944c-3
0.189
LYN-UNI-7bb260d6-8
0.188
LYN-UNI-c2dd631d-15
0.185
MAR-TRE-dab8f6ea-31
0.183
MAT-POS-b5746674-114
0.183
DAR-DIA-5d6f1b43-22
0.183
LYN-UNI-7bb260d6-14
0.182
ABI-SAT-aa268ad7-8
0.182
MAR-TRE-e86a56b5-65
0.182
DAR-DIA-5d6f1b43-21
0.181
MAR-TRE-fd17a9b8-96
0.181
LYN-UNI-b265e4fd-9
0.181
LYN-UNI-7bb260d6-11
0.181
VLA-UCB-34f3ed0c-17
0.180
LYN-UNI-c2dd631d-12
0.180
KTA-UNK-ec872bc6-3
0.179
DUA-UNK-53ce8530-1
0.179
AVI-UNI-70b60925-2
0.179
MAR-TRE-fffca54f-56
0.177
SAN-PRS-52b81272-1
0.177
COM-UCB-8c7d23dc-17
0.176
MAR-TRE-aca67d11-48
0.176
JOH-MEM-5e386bbd-7
0.176
FRA-LAB-04e32718-1
0.175
MED-UNK-e6e8ef8a-8
0.175
MAR-TRE-ebcc4ad6-17
0.175
LYN-UNI-7bb260d6-1
0.174
VLA-UCB-1dbca3b4-12
0.174
PET-SGC-c429dc17-1
0.174
CES-WAB-18e74d70-1
0.174
CHO-MSK-6e55470f-2
0.174
AAR-POS-d2a4d1df-12
0.173
NAU-LAT-ec9c7557-1
0.172
AVI-UNI-c9bf710f-2
0.172
SID-ELM-b654bfa2-10
0.172
SID-ELM-8b394441-20
0.172
MAK-UNK-7a704a63-21
0.171
JOH-MSK-a63bdd1d-4
0.171
MAR-UCB-195bc32d-16
0.171
MAK-UNK-c8c8f7e2-37
0.171
CLI-TLC-0b41e95c-1
0.170
MAR-TRE-36bf7dba-75
0.170
COM-UCB-1ef4e90e-5
0.170
AVI-UNI-70b60925-1
0.170
RED-RED-10c9212c-5
0.170
MAK-UNK-f2409524-24
0.170
SAL-UNI-60119594-8
0.170
ERI-BAS-37e2bb46-1
0.170
MAR-TRE-e86a56b5-42
0.169
ZAC-WAB-b0242612-1
0.169
MAR-TRE-e86a56b5-28
0.169
MAR-TRE-ebcc4ad6-36
0.169
IND-SYN-6c8299e8-1
0.169
SID-ELM-2583a2cd-1
0.169
MAR-TRE-7f7bb9f0-54
0.169
DAN-MCD-93e7aadc-1
0.168
MAR-UNI-c84db004-9
0.167
MAK-UNK-f2409524-23
0.167
JAG-UCB-c61058a9-34
0.167
COM-UCB-1ef4e90e-9
0.167
JOO-IND-b13e14cc-1
0.167
PET-UNK-b38839dc-3
0.167
KTA-UNK-ec872bc6-4
0.167
TIM-UNK-489d6f60-1
0.167
VLA-UCB-34f3ed0c-14
0.167
VLA-UNK-f702bf1c-6
0.167
EDJ-MED-40e596c8-3
0.165
ADA-UCB-b1b30a00-2
0.165
PET-UNK-b38839dc-15
0.165
SAD-SAT-9a6c5cf3-9
0.165