Molecular Properties | |
SMILES: | O=c1cc(C2CC2)oc2ccc(Br)cc12 |
MW: | 263.98 |
Fraction sp3: | 0.25 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 30.21 |
cLogP: | 3.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
Filter14_thio_oxopyrylium_salt
aryl bromide
LYN-UNI-0d9431a4-1
0.833
LYN-UNI-aac70ff6-1
0.800
LYN-UNI-c2dd631d-10
0.554
LYN-UNI-7bb260d6-4
0.475
LYN-UNI-0d9431a4-2
0.468
LYN-UNI-c2dd631d-4
0.453
LYN-UNI-7bb260d6-7
0.450
LYN-UNI-c2dd631d-14
0.444
LYN-UNI-0d9431a4-5
0.433
LYN-UNI-0d9431a4-6
0.410
LYN-UNI-0d9431a4-4
0.408
LYN-UNI-0d9431a4-3
0.403
LYN-UNI-b265e4fd-9
0.394
LYN-UNI-c2dd631d-3
0.343
LYN-UNI-b265e4fd-8
0.329
LYN-UNI-c2dd631d-9
0.324
LYN-UNI-b265e4fd-4
0.312
LYN-UNI-c2dd631d-5
0.308
LYN-UNI-c2dd631d-2
0.250
LYN-UNI-c2dd631d-15
0.216
LYN-UNI-b265e4fd-7
0.213
MAT-POS-162a9720-3
0.210
LON-WEI-120e5cf5-18
0.205
LYN-UNI-7bb260d6-8
0.203
KRI-MAR-d2e3ef86-3
0.198
LYN-UNI-7bb260d6-11
0.195
LYN-UNI-c2dd631d-1
0.192
JAG-UCB-ef2c0e8e-2
0.192
LOR-NEU-c8f11034-4
0.190
DRV-DNY-5c7d8ee8-2
0.188
LYN-UNI-7bb260d6-1
0.188
LYN-UNI-7bb260d6-6
0.188
LYN-UNI-7bb260d6-3
0.187
MAK-UNK-5d2caa6f-15
0.185
MAT-POS-b5746674-114
0.182
JAG-UCB-c61058a9-19
0.182
LYN-UNI-7bb260d6-14
0.181
LYN-UNI-b265e4fd-1
0.177
DRV-DNY-5c7d8ee8-7
0.177
MAT-POS-11b63608-1
0.177
JAG-UCB-c61058a9-17
0.176
BRU-THA-a358fbdd-3
0.176
LYN-UNI-7bb260d6-5
0.176
LOR-NOR-30067bb9-18
0.175
LYN-UNI-7bb260d6-13
0.174
MAR-TRE-0fda4e82-15
0.173
RED-RED-10c9212c-1
0.173
DAR-DIA-53551c05-10
0.172
JAG-UCB-c61058a9-26
0.172
LOR-NEU-c8f11034-3
0.172
LOR-NEU-c8f11034-9
0.171
DRV-DNY-5c7d8ee8-4
0.171
MAR-TRE-0fda4e82-83
0.169
DRV-DNY-5c7d8ee8-6
0.169
DRV-DNY-5c7d8ee8-8
0.169
MAR-TRE-f6f5f473-95
0.169
DRV-DNY-5c7d8ee8-10
0.167
DRV-DNY-5c7d8ee8-11
0.167
BRU-UNI-418e22dc-12
0.167
DOU-UNK-b5326f8f-10
0.167
LYN-UNI-b265e4fd-2
0.167
MAR-TRE-a3327163-13
0.167
MAT-POS-8d5af1ef-1
0.165
DRV-DNY-5c7d8ee8-9
0.165
DRV-DNY-5c7d8ee8-5
0.165
MAR-UNI-c84db004-9
0.165
LYN-UNI-c2dd631d-12
0.165
MAR-TRE-1c920f6f-77
0.165
MAR-TRE-0fda4e82-7
0.165
LYN-UNI-b265e4fd-5
0.164
DRV-DNY-5c7d8ee8-12
0.163
MAR-TRE-4f781e27-26
0.161
MAR-TRE-aca67d11-48
0.161
LYN-UNI-7bb260d6-10
0.161
RAM-SYN-2a37ce6c-6
0.161
LYN-UNI-b265e4fd-6
0.160
BRU-UNI-248b30bc-24
0.160
LOR-NOR-c954e7ad-3
0.160
VLA-UNK-97b36d61-1
0.160
PET-UNK-5ddd54c7-1
0.160
WAR-XCH-b72a1bbc-7
0.160
MAR-TRE-04c86cea-13
0.160
KRI-MAR-d2e3ef86-25
0.159
LYN-UNI-c2dd631d-13
0.159
LOR-NOR-c954e7ad-1
0.159
BAR-COM-0f94fc3d-3
0.158
JAG-UCB-c61058a9-30
0.158
LYN-UNI-c2dd631d-6
0.157
NAU-LAT-ec9c7557-1
0.157
RED-RED-10c9212c-5
0.156
LYN-UNI-7bb260d6-2
0.156
MAK-UNK-c74072e5-8
0.156
KRI-MAR-d2e3ef86-1
0.155
MAT-POS-1a13cd81-1
0.154
DAR-DIA-53551c05-19
0.154
LYN-UNI-b265e4fd-10
0.154
JAG-UCB-c61058a9-28
0.154
TER-UNK-b9d4d16f-1
0.154
MIC-UNK-0a05c952-4
0.153
SHA-LIV-041af2c0-4
0.153