Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc(C(=O)NC[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)cn1 |
MW: | 550.11 |
Fraction sp3: | 0.19 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 127.35 |
cLogP: | 3.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-UNI-0676e700-13
0.876
ALP-UNI-0676e700-17
0.748
MAT-POS-e6dd326d-4
0.721
MAT-POS-e6dd326d-9
0.721
ALP-UNI-0676e700-11
0.717
ALP-UNI-0676e700-21
0.713
MAT-POS-e6dd326d-12
0.708
MAT-POS-e6dd326d-6
0.701
MAT-POS-e6dd326d-2
0.699
MAT-POS-45b13633-2
0.699
ALP-UNI-0676e700-15
0.692
MAT-POS-e6dd326d-8
0.692
ALP-UNI-0676e700-10
0.686
EDJ-MED-4c7486ba-1
0.682
EDJ-MED-4c7486ba-4
0.682
EDG-MED-70ae9412-2
0.682
EDJ-MED-15e90dfc-7
0.682
MAT-POS-e6dd326d-7
0.682
RAL-THA-e002e396-2
0.679
MAT-POS-e6dd326d-5
0.679
EDJ-MED-f893e2a1-8
0.673
EDJ-MED-40433386-10
0.673
DAR-DIA-ecdbc7dd-16
0.673
EDJ-MED-4c7486ba-11
0.669
MAT-POS-3b97339c-3
0.669
EDJ-MED-4c7486ba-8
0.669
EDJ-MED-40433386-2
0.669
ALP-UNI-0676e700-5
0.669
KAD-UNI-8a629cb0-45
0.667
ALP-UNI-0676e700-22
0.667
EDJ-MED-424a8a89-2
0.667
ALP-UNI-0676e700-14
0.667
ALP-UNI-0676e700-28
0.664
RAL-THA-e002e396-1
0.664
EDJ-MED-40433386-4
0.661
EDJ-MED-15e90dfc-5
0.661
EDJ-MED-424a8a89-1
0.658
EDJ-MED-15e90dfc-3
0.658
ALP-UNI-0676e700-9
0.656
ALP-UNI-0676e700-20
0.656
EDJ-MED-8c98ee63-1
0.655
MAT-POS-45b13633-3
0.654
MAT-POS-e6dd326d-3
0.654
ALP-UNI-0676e700-6
0.653
ALP-UNI-0676e700-26
0.653
EDJ-MED-40433386-3
0.649
EDJ-MED-4c7486ba-9
0.649
EDJ-MED-4c7486ba-12
0.649
EDJ-MED-40433386-7
0.649
MAT-POS-3b97339c-1
0.649
MAT-POS-e6dd326d-11
0.645
EDJ-MED-40433386-5
0.643
DAR-DIA-6a508060-13
0.643
MAT-POS-e6dd326d-13
0.643
MAT-POS-e6dd326d-10
0.643
ALP-UNI-0676e700-3
0.639
MAT-POS-e6dd326d-14
0.638
EDJ-MED-f893e2a1-3
0.637
EDJ-MED-28ec730d-2
0.636
ALP-UNI-0676e700-8
0.636
EDJ-MED-4c7486ba-3
0.636
EDJ-MED-4c7486ba-6
0.636
ALP-UNI-0676e700-1
0.635
RAL-THA-e002e396-8
0.634
RAL-THA-e002e396-11
0.633
EDG-MED-971238d3-2
0.632
MAT-POS-9db1e783-2
0.632
ALP-UNI-0676e700-23
0.632
ALP-UNI-0676e700-25
0.632
RAL-THA-e002e396-5
0.631
EDG-MED-971238d3-3
0.630
EDG-MED-971238d3-10
0.630
MAT-POS-45b13633-4
0.630
RAL-THA-58fba2bc-1
0.630
RAL-THA-58fba2bc-3
0.630
RAL-THA-e002e396-6
0.627
EDJ-MED-40433386-8
0.627
KAD-UNI-b13decd3-3
0.627
MAT-POS-24589f88-12
0.627
MAT-POS-e6dd326d-1
0.626
EDG-MED-971238d3-5
0.626
MAT-POS-2bb0cf2b-1
0.626
MAT-POS-45b13633-1
0.626
EDJ-MED-15e90dfc-2
0.626
RAL-THA-e002e396-7
0.625
EDJ-MED-15e90dfc-4
0.624
EDJ-MED-4c7486ba-2
0.622
EDG-MED-70ae9412-1
0.622
EDJ-MED-4c7486ba-5
0.622
MAT-POS-5d65ec79-1
0.622
MAT-POS-f9802937-3
0.622
MAT-POS-f9802937-4
0.622
ALP-UNI-0676e700-16
0.620
ALP-UNI-0676e700-30
0.618
EDJ-MED-f893e2a1-9
0.617
ALP-UNI-0676e700-19
0.617
KAD-UNI-8a629cb0-41
0.617
EDJ-MED-f893e2a1-10
0.615
RAL-THA-e002e396-4
0.615
KAD-UNI-b13decd3-9
0.615