Molecular Properties | |
SMILES: | CN1CCOc2cccc3cncc(c23)NC(=O)C2CN(CC1=O)Cc1ccccc12 |
MW: | 416.18 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 0 |
TPSA: | 74.77 |
cLogP: | 2.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-4223bc15-23
MAT-UNK-673d6610-1
0.707
MAT-UNK-1d9ee2ed-1
0.698
MAT-UNK-88dc5cbd-1
0.684
MAT-UNK-12b5acf5-1
0.615
MAT-NA_-7dc3e0f8-1
0.537
MAT-UNK-2f7e45db-1
0.527
JOH-UNI-df8adf26-2
0.347
MAT-UNK-38d3ea22-1
0.305
MAT-UNK-ff8c4e54-1
0.293
MAT-UNK-6917668e-1
0.284
JOH-UNI-df8adf26-3
0.281
MAT-UNK-1889d436-1
0.278
BEN-DND-fa51d92c-8
0.273
JOH-UNI-df8adf26-1
0.269
BEN-DND-fa51d92c-16
0.265
BEN-DND-fa51d92c-15
0.263
BEN-DND-d1eb1f41-12
0.262
EDJ-MED-a6bab6fb-1
0.260
JAR-IMP-ed466bb3-7
0.259
MIC-UNK-50cce87d-11
0.252
JOH-UNI-6e27fddc-7
0.250
VLA-UNK-58704097-1
0.248
MIC-UNK-50cce87d-7
0.248
BEN-DND-fa51d92c-2
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VLA-UNK-ba665ac8-2
0.242
MAT-POS-853c0ffa-7
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VLA-UCB-05e51b3f-7
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VLA-UCB-50c39ae8-4
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JOH-UNI-6e27fddc-1
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VLA-UNK-3a43cd95-3
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MIK-ENA-99706bb8-1
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MIK-ENA-17e27e9c-1
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MIK-ENA-623fe2a6-1
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MIK-ENA-2c0ad173-1
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MAT-POS-50a80394-1
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VLA-UNK-ba665ac8-1
0.237
BEN-DND-a7517465-1
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DAR-DIA-caba39e3-9
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MAT-POS-853c0ffa-17
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BEN-DND-fa51d92c-22
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EDJ-MED-139368ae-5
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MAT-POS-b3212acf-1
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MAT-POS-50a80394-3
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MAT-POS-983b399a-1
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EDJ-MED-159244ea-1
0.234
EDJ-MED-e78d5f1a-1
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ALP-POS-477dc5b7-4
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EDG-MED-90036822-83
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JOH-UNI-6e27fddc-6
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IND-SYN-6c8299e8-3
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VLA-UCB-50c39ae8-2
0.233
EDJ-MED-f3cfbbb5-1
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BEN-BAS-c2bc0d80-6
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MAT-POS-94643566-1
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VLA-UCB-05e51b3f-5
0.233
MAT-POS-853c0ffa-5
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EDG-MED-90036822-75
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EDG-MED-90036822-74
0.232
MAT-POS-1d5ab790-1
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JAR-IMP-ed466bb3-4
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BEN-DND-a7517465-6
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VLA-UNK-3a43cd95-1
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EDJ-MED-54fbebd8-1
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VLA-UNK-e334495f-4
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BEN-BAS-c2bc0d80-3
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ED_-GRI-5b13fbe2-46
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MAT-POS-b4d6b7fc-6
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MAT-POS-1d5ab790-2
0.230
VLA-UNK-70dd90ef-3
0.230
VLA-UCB-34f3ed0c-16
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MAT-POS-50a80394-2
0.229
MIK-ENA-be04d1d4-1
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MIK-ENA-e143773d-1
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MIK-ENA-edcfce18-1
0.229
MIK-ENA-0547b12c-1
0.229
JAR-IMP-ed466bb3-1
0.229
EDG-MED-4c68219f-1
0.229
MAT-POS-81ae2990-1
0.229
RAM-THI-7078c165-1
0.228
DAR-DIA-6be260fc-2
0.227
BEN-DND-fa51d92c-21
0.227
VLA-UCB-50c39ae8-3
0.227
VLA-UCB-34f3ed0c-12
0.227
BEN-DND-d1eb1f41-13
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VLA-UCB-05e51b3f-6
0.227
SAD-SAT-1f400d17-9
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VLA-UNK-cf7facf1-1
0.227
VLA-UCB-29506327-1
0.227
MIC-UNK-50cce87d-12
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VLA-UCB-34f3ed0c-11
0.227
EDJ-MED-3656d29d-1
0.226
KAD-UNI-8a629cb0-14
0.226
ADA-UCB-dc2b944c-1
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VLA-UCB-34f3ed0c-18
0.226
RAI-NOV-a7d52b4a-5
0.226
BEN-DND-fa51d92c-23
0.226
MAT-POS-81ae2990-4
0.225
EDG-MED-90036822-7
0.225
JAR-IMP-ed466bb3-3
0.225
DAR-DIA-0f7b7cd9-9
0.225