Molecular Properties | |
SMILES: | O=c1cc(C2CCCCC2)oc2ccc(-c3ccccc3)cc12 |
MW: | 304.15 |
Fraction sp3: | 0.29 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 30.21 |
cLogP: | 5.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter14_thio_oxopyrylium_salt
LYN-UNI-aac70ff6-1
0.569
LYN-UNI-7bb260d6-4
0.569
LYN-UNI-0d9431a4-6
0.556
LYN-UNI-c2dd631d-4
0.544
LYN-UNI-0d9431a4-4
0.534
LYN-UNI-0d9431a4-3
0.527
LYN-UNI-0d9431a4-1
0.515
LYN-UNI-0d9431a4-2
0.493
LYN-UNI-c2dd631d-3
0.437
LYN-UNI-c2dd631d-11
0.433
LYN-UNI-c2dd631d-9
0.429
LYN-UNI-b265e4fd-8
0.419
LYN-UNI-c2dd631d-10
0.414
LYN-UNI-b265e4fd-4
0.412
LYN-UNI-c2dd631d-5
0.407
LYN-UNI-c2dd631d-2
0.291
LYN-UNI-7bb260d6-7
0.286
LYN-UNI-7bb260d6-14
0.279
LYN-UNI-c2dd631d-15
0.275
LYN-UNI-7bb260d6-3
0.247
LYN-UNI-7bb260d6-5
0.237
DAR-DIA-53551c05-2
0.234
ANT-OPE-7824651a-2
0.229
NAU-LAT-ec9c7557-1
0.227
LYN-UNI-c2dd631d-14
0.226
WAR-XCH-b6889685-51
0.223
KTA-UNK-ec872bc6-2
0.221
MAR-UNI-c84db004-9
0.220
DAR-DIA-5d6f1b43-22
0.217
LYN-UNI-7bb260d6-6
0.216
PET-UNK-e8933450-2
0.215
DAR-DIA-5d6f1b43-21
0.215
MAK-UNK-c74072e5-5
0.209
ASH-IND-65ab4b99-10
0.207
VLA-UCB-1dbca3b4-12
0.207
KOV-VNK-5e1a909f-37
0.205
MAR-TRE-ebcc4ad6-48
0.205
LYN-UNI-7bb260d6-8
0.202
MAT-POS-b5746674-116
0.202
TER-UNK-b9d4d16f-1
0.200
VLA-UNK-c3e99b7a-8
0.200
BEN-BAS-c2bc0d80-5
0.198
VLA-UCB-34f3ed0c-14
0.197
VLA-UNK-f702bf1c-6
0.197
MAR-UNI-c84db004-7
0.196
VID-DNY-1d288c6c-1
0.196
GIA-UNK-7337c2f3-11
0.196
RED-RED-10c9212c-17
0.196
LYN-UNI-b265e4fd-9
0.195
LYN-UNI-7bb260d6-11
0.195
LYN-UNI-c2dd631d-12
0.194
GIA-UNK-20b63697-6
0.193
LYN-UNI-b265e4fd-1
0.193
DRA-CSI-3ab97369-1
0.193
DAR-DIA-eace69ff-10
0.192
ASH-IND-65ab4b99-9
0.191
MAK-UNK-5d2caa6f-4
0.191
VLA-UCB-34f3ed0c-17
0.190
MAT-UCB-70f7c0f7-5
0.190
MAT-POS-ea426761-17
0.189
AAR-UNI-c25c2f1e-70
0.189
ADA-UCB-dc2b944c-3
0.189
DAR-DIA-0d514e7d-9
0.189
LYN-UNI-7bb260d6-1
0.189
MAK-UNK-0955449e-32
0.189
COM-UCB-8c7d23dc-6
0.188
SAD-SAT-7d5528d9-55
0.188
MAK-UNK-987948f6-1
0.187
ERI-UCB-d6de1f3c-5
0.186
DRA-CSI-7ec17797-1
0.186
ASH-IND-65ab4b99-16
0.186
ZAC-WAB-b0242612-1
0.185
ALP-POS-64a710fa-1
0.185
MAK-UNK-194150d3-9
0.185
MAR-TRE-f6f5f473-53
0.184
DAR-DIA-03336633-14
0.184
DRA-CSI-0a78d9ba-1
0.184
DAR-DIA-5d6f1b43-13
0.184
DRA-CSI-47e38074-2
0.184
LYN-UNI-b265e4fd-7
0.184
ASH-IND-65ab4b99-14
0.183
DRA-CSI-47e38074-12
0.183
DRA-CSI-47e38074-3
0.183
VID-DNY-1d288c6c-2
0.182
WAR-XCH-b72a1bbc-28
0.182
ADA-UCB-dc2b944c-1
0.181
DAR-DIA-53551c05-12
0.181
MAR-TRE-1c920f6f-77
0.181
MAR-UNI-c84db004-5
0.180
VID-DNY-1d288c6c-6
0.180
VID-DNY-1d288c6c-10
0.180
BRU-UNI-248b30bc-54
0.180
AAR-UNI-c25c2f1e-4
0.180
GIA-UNK-7337c2f3-10
0.180
ASH-IND-65ab4b99-1
0.179
GIA-UNK-5ec6c2b8-4
0.179
EDJ-MED-036ae2e9-4
0.179
GIA-UNK-5ec6c2b8-1
0.179
PET-UNK-7b413b46-7
0.179
COM-UCB-1ef4e90e-9
0.179