Molecular Properties | |
SMILES: | Cn1cc(C(=O)NC[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)c(=O)[nH]c1=O |
MW: | 519.13 |
Fraction sp3: | 0.19 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 135.18 |
cLogP: | 2.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
ALP-UNI-0676e700-28
0.741
MAT-POS-e6dd326d-9
0.694
KAD-UNI-8a629cb0-45
0.686
ALP-UNI-0676e700-22
0.686
MAT-POS-e6dd326d-12
0.682
MAT-POS-e6dd326d-6
0.676
EDJ-MED-40433386-2
0.675
EDJ-MED-4c7486ba-8
0.675
MAT-POS-3b97339c-3
0.675
EDJ-MED-4c7486ba-11
0.675
MAT-POS-e6dd326d-2
0.673
MAT-POS-45b13633-2
0.673
ALP-UNI-0676e700-1
0.667
MAT-POS-e6dd326d-8
0.667
ALP-UNI-0676e700-11
0.664
EDJ-MED-40433386-10
0.664
EDJ-MED-4c7486ba-1
0.658
EDG-MED-70ae9412-2
0.658
MAT-POS-e6dd326d-7
0.658
EDJ-MED-4c7486ba-4
0.658
ALP-UNI-0676e700-29
0.653
EDJ-MED-40433386-4
0.652
ALP-UNI-0676e700-25
0.651
ALP-UNI-0676e700-27
0.651
DAR-DIA-ecdbc7dd-16
0.649
MAT-POS-e6dd326d-4
0.649
EDJ-MED-f893e2a1-8
0.649
MAT-POS-e6dd326d-14
0.644
EDJ-MED-424a8a89-2
0.643
ALP-UNI-0676e700-23
0.638
EDJ-MED-40433386-5
0.636
EDJ-MED-15e90dfc-3
0.635
EDJ-MED-424a8a89-1
0.635
ALP-UNI-0676e700-13
0.634
EDJ-MED-8c98ee63-2
0.633
EDJ-MED-40433386-8
0.633
ALP-UNI-0676e700-15
0.629
EDJ-MED-4c7486ba-3
0.628
EDJ-MED-4c7486ba-6
0.628
EDJ-MED-40433386-3
0.627
EDJ-MED-40433386-7
0.627
MAT-POS-3b97339c-1
0.627
EDJ-MED-4c7486ba-9
0.627
EDJ-MED-4c7486ba-12
0.627
ALP-UNI-0676e700-17
0.627
MAT-POS-e6dd326d-5
0.626
ALP-UNI-0676e700-10
0.624
MAT-POS-e6dd326d-11
0.623
ALP-UNI-0676e700-21
0.621
MAT-POS-e6dd326d-13
0.621
MAT-POS-e6dd326d-10
0.621
EDJ-MED-15e90dfc-6
0.620
ALP-UNI-0676e700-6
0.619
EDJ-MED-8c98ee63-1
0.619
EDJ-MED-15e90dfc-2
0.619
EDJ-MED-15e90dfc-7
0.615
KAD-UNI-cb0f2bbc-13
0.615
MAT-POS-61f37a1a-15
0.615
EDJ-MED-4c7486ba-2
0.615
EDJ-MED-4c7486ba-5
0.615
EDG-MED-70ae9412-1
0.615
EDJ-MED-28ec730d-2
0.614
ALP-UNI-0676e700-30
0.611
RAL-THA-e002e396-11
0.611
EDJ-MED-15e90dfc-5
0.610
KAD-UNI-8a629cb0-41
0.610
ALP-UNI-0676e700-19
0.610
ALP-UNI-0676e700-5
0.609
ALP-UNI-0676e700-9
0.609
ALP-UNI-0676e700-20
0.609
EDG-MED-971238d3-2
0.609
MAT-POS-9db1e783-2
0.609
EDJ-MED-f893e2a1-10
0.608
ALP-UNI-0676e700-24
0.608
ALP-UNI-0676e700-14
0.608
EDG-MED-971238d3-3
0.607
RAL-THA-58fba2bc-3
0.607
EDJ-MED-f893e2a1-6
0.607
MAT-POS-61f37a1a-3
0.607
KAD-UNI-cb0f2bbc-22
0.607
ALP-UNI-0676e700-12
0.606
ALP-UNI-0676e700-3
0.605
MAT-POS-2bb0cf2b-1
0.604
EDG-MED-971238d3-5
0.604
MAT-POS-e6dd326d-1
0.604
MAT-POS-45b13633-1
0.604
EDJ-MED-f893e2a1-1
0.603
EDJ-MED-15e90dfc-1
0.603
DAR-DIA-ecdbc7dd-13
0.602
MAT-POS-e6dd326d-3
0.602
MAT-POS-45b13633-3
0.602
EDJ-MED-f893e2a1-3
0.602
MAT-POS-5d65ec79-1
0.600
ALP-UNI-0676e700-16
0.600
MAT-POS-f9802937-4
0.600
MAT-POS-f9802937-3
0.600
EDJ-MED-f893e2a1-9
0.597
RAL-THA-e002e396-1
0.596
RAL-THA-e002e396-2
0.596
ALP-POS-a0a4abd7-4
0.595