Molecular Properties | |
SMILES: | COc1ccc(-c2nc3ccc(NC(=O)C4CCN(Cc5ccc(CF)cc5)CC4)cc3o2)c(Br)c1 |
MW: | 552.444 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 67.6 |
cLogP: | 6.5861 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Filter9_metal
aryl bromide
DRA-CSI-0a78d9ba-6
0.840
DRA-CSI-0a78d9ba-5
0.821
DRA-CSI-0a78d9ba-8
0.816
DRA-CSI-0a78d9ba-7
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DRA-CSI-3ab97369-4
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DRA-CSI-3ab97369-7
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DRA-CSI-3ab97369-6
0.645
DRA-CSI-7ec17797-15
0.642
DRA-CSI-7ec17797-16
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DRA-CSI-3ab97369-5
0.627
DRA-CSI-0a78d9ba-2
0.625
DRA-CSI-0a78d9ba-4
0.593
DRA-CSI-0a78d9ba-1
0.585
DRA-CSI-0a78d9ba-3
0.578
DRA-CSI-3ab97369-2
0.477
DRA-CSI-7ec17797-12
0.454
DRA-CSI-7ec17797-1
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DRA-CSI-7ec17797-2
0.445
DRA-CSI-3ab97369-1
0.444
DRA-CSI-7ec17797-19
0.444
DRA-CSI-7ec17797-13
0.442
DRA-CSI-7ec17797-14
0.430
DRA-CSI-3ab97369-3
0.430
DRA-CSI-0a78d9ba-16
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DRA-CSI-0a78d9ba-13
0.333
DRA-CSI-0a78d9ba-15
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SAD-SAT-7d5528d9-7
0.294
MAR-TRE-fd17a9b8-36
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MAR-TRE-a9136c7b-89
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JAG-SYN-9c2cd0bd-9
0.269
LON-WEI-120e5cf5-19
0.268
MAR-TRE-fd17a9b8-44
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AAR-POS-f650c5f2-4
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LON-WEI-120e5cf5-1
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LON-WEI-120e5cf5-17
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MAR-TRE-2fd8122f-64
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LON-WEI-120e5cf5-3
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DRA-CSI-3ab97369-9
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JAG-SYN-9c2cd0bd-14
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MAK-UNK-c97f7c8f-2
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JUL-TUD-06b2044f-105
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AHN-SAT-02ef6d10-2
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LON-WEI-120e5cf5-2
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GIA-UNK-5ec6c2b8-3
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BEN-DND-031a96cc-3
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DRA-CSI-3ab97369-10
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GIA-UNK-595fac82-5
0.231
LON-WEI-120e5cf5-15
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MAR-TRE-6a44bbf2-86
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BEN-DND-031a96cc-4
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LON-WEI-120e5cf5-20
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JAG-UCB-52b62a6f-8
0.229
MAR-TRE-fd17a9b8-97
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MAK-UNK-10dfa458-19
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MAR-TRE-d0525fbf-20
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MAR-TRE-2fd8122f-29
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MAR-TRE-2fd8122f-19
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MAR-TRE-b77b7921-85
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DAN-MCD-0c04f563-1
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MAR-TRE-fffca54f-89
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WIL-UNI-2a57d06c-40
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MAT-POS-2492181e-9
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SAD-SAT-7d5528d9-6
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