Molecular Properties | |
SMILES: | COc1ccc(-c2nc3ccc(NC(=O)C4CCN(Cc5c(F)cccc5F)CC4)cc3o2)c(Br)c1 |
MW: | 556.407 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 67.6 |
cLogP: | 6.3948 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Filter9_metal
aryl bromide
DRA-CSI-0a78d9ba-5
0.750
DRA-CSI-0a78d9ba-9
0.743
DRA-CSI-0a78d9ba-6
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DRA-CSI-0a78d9ba-7
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DRA-CSI-3ab97369-7
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DRA-CSI-3ab97369-4
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DRA-CSI-7ec17797-17
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DRA-CSI-3ab97369-6
0.633
DRA-CSI-7ec17797-15
0.631
DRA-CSI-3ab97369-5
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DRA-CSI-7ec17797-16
0.611
DRA-CSI-0a78d9ba-2
0.555
DRA-CSI-0a78d9ba-1
0.545
DRA-CSI-0a78d9ba-4
0.526
DRA-CSI-0a78d9ba-3
0.513
DRA-CSI-3ab97369-2
0.482
DRA-CSI-7ec17797-1
0.470
DRA-CSI-3ab97369-1
0.462
DRA-CSI-7ec17797-12
0.458
DRA-CSI-7ec17797-2
0.450
DRA-CSI-7ec17797-19
0.449
DRA-CSI-3ab97369-3
0.434
DRA-CSI-7ec17797-13
0.434
DRA-CSI-7ec17797-14
0.434
DRA-CSI-0a78d9ba-16
0.303
MAR-TRE-fd17a9b8-36
0.290
SAD-SAT-7d5528d9-7
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DRA-CSI-0a78d9ba-13
0.286
DRA-CSI-0a78d9ba-15
0.277
LON-WEI-120e5cf5-19
0.274
DRA-CSI-3ab97369-9
0.271
BEN-DND-031a96cc-4
0.270
UNK-UNK-2ede4078-100
0.268
DRA-CSI-3ab97369-8
0.266
JAG-SYN-9c2cd0bd-9
0.264
MAR-TRE-fd17a9b8-44
0.262
MAR-TRE-2fd8122f-64
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BEN-DND-031a96cc-5
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MAR-TRE-7f7bb9f0-26
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JAG-SYN-9c2cd0bd-14
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AAR-POS-f650c5f2-4
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LON-WEI-120e5cf5-1
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KEI-TRE-d5e2018a-49
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LON-WEI-120e5cf5-3
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RAL-THA-05e671eb-14
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JAG-UCB-52b62a6f-8
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JUL-TUD-06b2044f-105
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LON-WEI-120e5cf5-2
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MAR-TRE-2fd8122f-87
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MAR-TRE-2fd8122f-42
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MAR-TRE-2fd8122f-50
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EDJ-MED-611d11e7-9
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MAT-POS-96f51285-3
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MAR-TRE-2fd8122f-33
0.237
MAR-TRE-fd17a9b8-97
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JAG-UCB-52b62a6f-12
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DRA-CSI-3ab97369-11
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BAR-COM-0f94fc3d-17
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MAR-TRE-2fd8122f-19
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MAR-TRE-2fd8122f-29
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AAR-UNI-c25c2f1e-93
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JUL-TUD-06b2044f-47
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MAR-TRE-b77b7921-85
0.233
MAR-TRE-d0525fbf-90
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RAL-MED-9a5eb9cb-8
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MAR-TRE-3e4e6814-54
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BEN-DND-031a96cc-1
0.230
MAR-TRE-3159af1a-44
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MAR-TRE-7f7bb9f0-21
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MAR-TRE-2fd8122f-75
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MAR-TRE-fd17a9b8-2
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MAR-TRE-b77b7921-72
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LON-WEI-120e5cf5-15
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MAR-TRE-6a44bbf2-86
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DRA-CSI-7ec17797-18
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DRA-CSI-3ab97369-12
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LON-WEI-120e5cf5-6
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JAG-UCB-c61058a9-31
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BAR-COM-0f94fc3d-39
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MAT-POS-f9802937-7
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JAG-SYN-9c2cd0bd-7
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JAG-SYN-9c2cd0bd-8
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WIL-UNI-2a57d06c-40
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