Molecular Properties | |
SMILES: | O=c1cc(-c2ccccc2)oc2ccc(Br)cc12 |
MW: | 299.98 |
Fraction sp3: | 0.0 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 30.21 |
cLogP: | 4.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7797339727 |
MolPort: | MolPort-003-699-944 |
Filter9_metal
Filter14_thio_oxopyrylium_salt
aryl bromide
LYN-UNI-b265e4fd-9
0.638
LYN-UNI-c2dd631d-15
0.576
LYN-UNI-7bb260d6-5
0.452
LYN-UNI-c2dd631d-11
0.450
LYN-UNI-7bb260d6-3
0.438
LYN-UNI-7bb260d6-8
0.415
LYN-UNI-c2dd631d-14
0.403
LYN-UNI-7bb260d6-14
0.403
LYN-UNI-0d9431a4-1
0.400
LYN-UNI-aac70ff6-1
0.388
MAR-TRE-ebcc4ad6-48
0.379
LYN-UNI-7bb260d6-11
0.377
LYN-UNI-7bb260d6-1
0.361
MAR-UNI-c84db004-9
0.342
LYN-UNI-b265e4fd-5
0.294
MAR-UNI-c84db004-7
0.289
LYN-UNI-0d9431a4-5
0.286
LYN-UNI-7bb260d6-2
0.278
LYN-UNI-b265e4fd-10
0.274
LYN-UNI-c2dd631d-13
0.273
LYN-UNI-b265e4fd-2
0.270
LYN-UNI-b265e4fd-1
0.263
LYN-UNI-b265e4fd-6
0.260
NAU-LAT-ec9c7557-1
0.253
LYN-UNI-7bb260d6-10
0.253
MAT-POS-ea426761-17
0.253
LYN-UNI-c2dd631d-6
0.247
LYN-UNI-b265e4fd-3
0.237
LYN-UNI-b265e4fd-7
0.237
MAR-TRE-fffca54f-56
0.233
BRU-UNI-418e22dc-11
0.232
MAR-TRE-ebcc4ad6-17
0.230
MAR-UNI-c84db004-5
0.225
MAR-TRE-ebcc4ad6-36
0.221
LYN-UNI-0d9431a4-6
0.219
MAR-TRE-0fda4e82-7
0.218
MAR-UNI-c84db004-2
0.217
LYN-UNI-c2dd631d-10
0.216
KTA-UNK-ec872bc6-2
0.214
HYU-PHA-b2f04c4b-1
0.212
DRV-DNY-5c7d8ee8-2
0.210
LYN-UNI-c2dd631d-2
0.208
DRV-DNY-5c7d8ee8-4
0.207
KRI-MAR-d2e3ef86-25
0.207
GIA-UNK-7337c2f3-14
0.205
LYN-UNI-c2dd631d-12
0.200
MAK-UNK-10dfa458-8
0.200
LYN-UNI-0d9431a4-4
0.198
MAR-TRE-aca67d11-48
0.195
MAR-TRE-0fda4e82-15
0.195
LOR-NEU-c8f11034-9
0.195
MAR-TRE-4f781e27-26
0.194
MAR-TRE-fffca54f-55
0.192
LYN-UNI-7bb260d6-4
0.192
TIM-UNK-d2baf6b8-1
0.192
TER-UNK-b9d4d16f-6
0.192
MAR-TRE-1c920f6f-73
0.192
LYN-UNI-0d9431a4-2
0.190
SAL-UNI-60119594-8
0.186
RAI-NOV-c18e0037-1
0.186
BER-UNK-c44c38d5-2
0.186
MAK-UNK-07311286-1
0.185
LYN-UNI-c2dd631d-4
0.185
DRV-DNY-5c7d8ee8-7
0.185
VID-DNY-1d288c6c-6
0.185
GGM-FNM-12cd6902-1
0.184
LYN-UNI-c2dd631d-1
0.184
MAK-UNK-af83ef51-1
0.183
MAT-POS-b5746674-116
0.183
MAR-UCB-195bc32d-59
0.183
MAR-TRE-92684b97-67
0.182
LYN-UNI-0d9431a4-3
0.182
KRI-MAR-d2e3ef86-3
0.180
GGM-FNM-12cd6902-2
0.179
JON-UIO-d041ac75-1
0.178
KRI-MAR-d2e3ef86-11
0.178
ANT-OPE-7824651a-2
0.177
VIC-UNK-b812fd5a-1
0.177
DRV-DNY-5c7d8ee8-6
0.176
DRV-DNY-5c7d8ee8-8
0.176
MAR-TRE-f6f5f473-95
0.176
MAR-TRE-f6f5f473-20
0.175
VLA-UNK-b5cf542b-1
0.175
MAR-TRE-a3327163-13
0.174
GIA-UNK-7337c2f3-11
0.174
JON-UIO-d041ac75-10
0.174
DRV-DNY-5c7d8ee8-10
0.174
MAR-TRE-4f39ef4a-51
0.174
DRV-DNY-5c7d8ee8-11
0.174
MAR-TRE-ebcc4ad6-44
0.173
DRV-DNY-5c7d8ee8-5
0.172
PET-UNK-c9c1e0d8-1
0.172
LOR-NOR-30067bb9-6
0.172
DRV-DNY-5c7d8ee8-9
0.172
MAT-POS-8d5af1ef-1
0.172
LON-WEI-5e7d1b3e-72
0.171
LON-WEI-4d77710c-72
0.171
MAT-POS-ea426761-13
0.171
KTA-UNK-ec872bc6-1
0.171
MAR-TRE-14ce9fd6-73
0.170