Molecular Properties | |
SMILES: | O=c1cc(C2CCCC2)oc2ccc(Br)cc12 |
MW: | 292.01 |
Fraction sp3: | 0.36 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 30.21 |
cLogP: | 4.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
Filter14_thio_oxopyrylium_salt
aryl bromide
LYN-UNI-aac70ff6-1
0.918
LYN-UNI-c2dd631d-11
0.833
LYN-UNI-0d9431a4-2
0.583
LYN-UNI-7bb260d6-4
0.567
LYN-UNI-c2dd631d-4
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LYN-UNI-0d9431a4-5
0.515
LYN-UNI-0d9431a4-6
0.500
LYN-UNI-0d9431a4-4
0.486
LYN-UNI-0d9431a4-3
0.479
LYN-UNI-c2dd631d-10
0.468
LYN-UNI-c2dd631d-14
0.439
LYN-UNI-c2dd631d-3
0.424
LYN-UNI-b265e4fd-8
0.406
LYN-UNI-7bb260d6-7
0.400
LYN-UNI-c2dd631d-9
0.397
LYN-UNI-b265e4fd-4
0.382
LYN-UNI-c2dd631d-5
0.377
LYN-UNI-b265e4fd-9
0.371
LYN-UNI-c2dd631d-2
0.270
LYN-UNI-7bb260d6-6
0.207
LYN-UNI-b265e4fd-7
0.203
MAT-POS-162a9720-3
0.197
LON-WEI-120e5cf5-18
0.196
LYN-UNI-7bb260d6-8
0.192
KRI-MAR-d2e3ef86-3
0.190
LYN-UNI-c2dd631d-15
0.190
LYN-UNI-7bb260d6-11
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LYN-UNI-c2dd631d-1
0.182
MAT-POS-11b63608-1
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JAG-UCB-ef2c0e8e-2
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LOR-NOR-30067bb9-18
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LOR-NEU-c8f11034-3
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DRV-DNY-5c7d8ee8-2
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LYN-UNI-c2dd631d-13
0.179
LYN-UNI-7bb260d6-1
0.179
DAR-DIA-53551c05-10
0.178
LOR-NEU-c8f11034-9
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MAK-UNK-5d2caa6f-15
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MAT-POS-b5746674-114
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JAG-UCB-c61058a9-19
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LYN-UNI-7bb260d6-14
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LYN-UNI-c2dd631d-12
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JOO-IND-b13e14cc-1
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DRV-DNY-5c7d8ee8-5
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MAT-POS-8d5af1ef-1
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LYN-UNI-b265e4fd-1
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DRV-DNY-5c7d8ee8-7
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JAG-UCB-c61058a9-17
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BRU-THA-a358fbdd-3
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MED-UNK-e6e8ef8a-8
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JAG-UCB-c61058a9-26
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MAR-TRE-0fda4e82-15
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LOR-NOR-c954e7ad-1
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TIM-UNK-bbdeee69-1
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LYN-UNI-7bb260d6-13
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DRV-DNY-5c7d8ee8-4
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LYN-UNI-7bb260d6-3
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LOR-NEU-c8f11034-4
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MAR-TRE-f6f5f473-95
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DRV-DNY-5c7d8ee8-8
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DRV-DNY-5c7d8ee8-6
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MAK-UNK-7a704a63-21
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MAK-UNK-c8c8f7e2-37
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MAR-TRE-0fda4e82-83
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BRU-UNI-418e22dc-12
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GUZ-UNI-5a173832-3
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GUZ-UNI-cc80d5b0-1
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DRV-DNY-5c7d8ee8-11
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DAR-DIA-53551c05-19
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DRV-DNY-5c7d8ee8-10
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GUZ-UNI-5a173832-2
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AAR-POS-fca48359-14
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DAR-DIA-53551c05-1
0.159
MAR-TRE-a3327163-13
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PET-SGC-481b48b7-2
0.159
TER-UNK-b9d4d16f-1
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MAT-POS-1a13cd81-1
0.159
LYN-UNI-b265e4fd-2
0.159
PAU-UNI-589039f7-3
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PAU-UNI-d269d79c-3
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MAK-UNK-c749d764-26
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MAK-UNK-c749d764-4
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DRV-DNY-5c7d8ee8-9
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MAR-TRE-1c920f6f-77
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MAR-UNI-c84db004-9
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MAR-TRE-0fda4e82-7
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DRV-DNY-5c7d8ee8-12
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VLA-UCB-1dbca3b4-12
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LYN-UNI-b265e4fd-5
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ABI-SAT-aa268ad7-8
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BEN-BAS-c2bc0d80-5
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MAR-TRE-4f781e27-26
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FRA-LAB-04e32718-1
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BRU-UNI-248b30bc-24
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JOO-IND-b13e14cc-2
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MAK-UNK-c8c8f7e2-19
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MAR-TRE-aca67d11-48
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PET-UNK-5ddd54c7-1
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LYN-UNI-7bb260d6-10
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ERI-BAS-f6f91199-1
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