Molecular Properties | |
SMILES: | O=C(NC[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)c1ccc(-n2cnnn2)cn1 |
MW: | 540.14 |
Fraction sp3: | 0.15 |
HBA: | 9 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 136.81 |
cLogP: | 3.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-UNI-0676e700-6
0.717
MAT-POS-e6dd326d-9
0.682
ALP-UNI-0676e700-10
0.680
ALP-UNI-0676e700-15
0.672
ALP-UNI-0676e700-29
0.656
MAT-POS-e6dd326d-8
0.655
MAT-POS-e6dd326d-12
0.655
ALP-UNI-0676e700-11
0.653
ALP-UNI-0676e700-9
0.651
ALP-UNI-0676e700-13
0.650
ALP-UNI-0676e700-21
0.650
MAT-POS-e6dd326d-6
0.649
MAT-POS-e6dd326d-2
0.645
MAT-POS-45b13633-2
0.645
ALP-UNI-0676e700-17
0.643
ALP-UNI-0676e700-23
0.641
EDJ-MED-40433386-10
0.638
DAR-DIA-ecdbc7dd-16
0.638
KAD-UNI-8a629cb0-45
0.635
ALP-UNI-0676e700-22
0.635
MAT-POS-e6dd326d-7
0.632
EDJ-MED-4c7486ba-4
0.632
EDG-MED-70ae9412-2
0.632
EDJ-MED-4c7486ba-1
0.632
ALP-UNI-0676e700-28
0.632
EDJ-MED-40433386-4
0.627
ALP-UNI-0676e700-5
0.625
EDJ-MED-40433386-2
0.624
EDJ-MED-4c7486ba-11
0.624
MAT-POS-3b97339c-3
0.624
EDJ-MED-4c7486ba-8
0.624
EDJ-MED-40433386-8
0.623
MAT-POS-e6dd326d-4
0.623
EDJ-MED-f893e2a1-8
0.623
MAT-POS-e6dd326d-14
0.620
ALP-UNI-0676e700-1
0.618
EDJ-MED-4c7486ba-2
0.618
EDJ-MED-4c7486ba-5
0.618
EDG-MED-70ae9412-1
0.618
EDJ-MED-424a8a89-2
0.617
EDJ-MED-4c7486ba-9
0.617
EDJ-MED-4c7486ba-12
0.617
MAT-POS-3b97339c-1
0.617
EDJ-MED-40433386-3
0.617
EDJ-MED-40433386-7
0.617
MAT-POS-e6dd326d-5
0.615
ALP-UNI-0676e700-27
0.615
EDJ-MED-15e90dfc-5
0.613
MAT-POS-e6dd326d-11
0.612
EDJ-MED-40433386-5
0.612
ALP-UNI-0676e700-14
0.611
RAL-THA-58fba2bc-3
0.611
EDG-MED-971238d3-3
0.611
EDJ-MED-424a8a89-1
0.610
EDJ-MED-15e90dfc-3
0.610
ALP-UNI-0676e700-26
0.609
ALP-UNI-0676e700-3
0.608
MAT-POS-45b13633-3
0.605
MAT-POS-e6dd326d-3
0.605
EDJ-MED-4c7486ba-6
0.605
EDJ-MED-4c7486ba-3
0.605
ALP-UNI-0676e700-16
0.603
ALP-UNI-0676e700-25
0.603
EDG-MED-971238d3-2
0.598
MAT-POS-9db1e783-2
0.598
MAT-POS-e6dd326d-10
0.597
MAT-POS-e6dd326d-13
0.597
MAT-POS-45b13633-4
0.596
RAL-THA-58fba2bc-1
0.596
EDG-MED-971238d3-10
0.596
EDJ-MED-15e90dfc-2
0.595
EDJ-MED-8c98ee63-1
0.595
ALP-UNI-0676e700-8
0.594
EDJ-MED-15e90dfc-4
0.593
EDG-MED-971238d3-5
0.593
MAT-POS-e6dd326d-1
0.593
MAT-POS-45b13633-1
0.593
MAT-POS-2bb0cf2b-1
0.593
EDJ-MED-40433386-9
0.592
EDJ-MED-15e90dfc-7
0.592
EDJ-MED-f893e2a1-3
0.592
DAR-DIA-ecdbc7dd-13
0.591
EDJ-MED-28ec730d-2
0.590
EDJ-MED-d203f206-13
0.589
ALP-UNI-0676e700-19
0.587
KAD-UNI-8a629cb0-41
0.587
EDJ-MED-f893e2a1-9
0.587
ALP-UNI-0676e700-7
0.586
ALP-UNI-0676e700-12
0.585
EDJ-MED-f893e2a1-6
0.584
EDJ-MED-8c98ee63-2
0.584
EDG-MED-971238d3-9
0.583
JAG-UCB-706446eb-3
0.583
EDG-MED-971238d3-6
0.583
ALP-UNI-0676e700-2
0.581
ALP-UNI-dbbfd3db-1
0.581
DAR-DIA-ecdbc7dd-4
0.581
EDG-MED-971238d3-8
0.581
EDJ-MED-f893e2a1-2
0.581
EDJ-MED-15e90dfc-1
0.581