Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(C(=O)NC[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)cn1 |
MW: | 551.1 |
Fraction sp3: | 0.15 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 153.37 |
cLogP: | 3.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-UNI-0676e700-29
0.876
ALP-UNI-0676e700-17
0.741
ALP-UNI-0676e700-11
0.726
ALP-UNI-0676e700-21
0.722
EDJ-MED-4c7486ba-8
0.707
MAT-POS-3b97339c-3
0.707
EDJ-MED-40433386-2
0.707
EDJ-MED-4c7486ba-11
0.707
MAT-POS-e6dd326d-9
0.698
MAT-POS-e6dd326d-6
0.694
ALP-UNI-0676e700-15
0.686
MAT-POS-e6dd326d-8
0.685
MAT-POS-e6dd326d-12
0.685
MAT-POS-e6dd326d-4
0.682
DAR-DIA-ecdbc7dd-16
0.682
EDJ-MED-40433386-10
0.682
ALP-UNI-0676e700-10
0.681
ALP-UNI-0676e700-5
0.678
MAT-POS-45b13633-2
0.676
MAT-POS-e6dd326d-2
0.676
EDG-MED-70ae9412-2
0.676
MAT-POS-e6dd326d-7
0.676
EDJ-MED-4c7486ba-1
0.676
EDJ-MED-4c7486ba-4
0.676
KAD-UNI-b13decd3-3
0.664
MAT-POS-24589f88-12
0.664
ALP-UNI-0676e700-14
0.661
ALP-UNI-0676e700-6
0.661
MAT-POS-e6dd326d-5
0.658
RAL-THA-e002e396-2
0.657
EDJ-MED-40433386-4
0.655
EDJ-MED-f893e2a1-8
0.651
RAL-THA-e002e396-6
0.651
MAT-POS-e6dd326d-1
0.651
MAT-POS-2bb0cf2b-1
0.651
MAT-POS-45b13633-1
0.651
EDG-MED-971238d3-5
0.651
ALP-UNI-0676e700-9
0.650
ALP-UNI-0676e700-20
0.650
KAD-UNI-8a629cb0-45
0.648
ALP-UNI-0676e700-22
0.648
EDJ-MED-15e90dfc-7
0.646
EDJ-MED-424a8a89-2
0.645
KAD-UNI-b13decd3-4
0.645
MAT-POS-24589f88-9
0.645
MAT-POS-7174c657-4
0.645
MAT-POS-3b97339c-1
0.643
EDJ-MED-4c7486ba-12
0.643
EDJ-MED-40433386-7
0.643
EDJ-MED-4c7486ba-9
0.643
EDJ-MED-40433386-3
0.643
EDJ-MED-15e90dfc-5
0.640
MAT-POS-e6dd326d-11
0.640
EDJ-MED-40433386-5
0.638
EDJ-MED-15e90dfc-3
0.637
EDJ-MED-424a8a89-1
0.637
EDJ-MED-40433386-8
0.636
EDJ-MED-8c98ee63-1
0.635
ALP-UNI-0676e700-26
0.634
ALP-UNI-0676e700-3
0.633
MAT-POS-e6dd326d-3
0.633
MAT-POS-45b13633-3
0.633
EDJ-MED-f893e2a1-3
0.632
ALP-UNI-0676e700-8
0.631
KAD-UNI-8a629cb0-3
0.631
ALP-UNI-0676e700-28
0.631
EDJ-MED-4c7486ba-3
0.630
EDJ-MED-4c7486ba-6
0.630
RAL-THA-e002e396-8
0.628
RAL-THA-e002e396-1
0.627
ALP-UNI-0676e700-25
0.627
MAT-POS-9db1e783-2
0.626
EDG-MED-971238d3-2
0.626
ALP-UNI-3496895b-16
0.625
ALP-UNI-8e43a71e-16
0.625
MAT-POS-45b13633-4
0.624
RAL-THA-58fba2bc-1
0.624
EDG-MED-971238d3-6
0.624
RAL-THA-58fba2bc-3
0.624
EDG-MED-971238d3-3
0.624
EDG-MED-971238d3-10
0.624
ALP-UNI-0676e700-7
0.623
MAT-POS-e6dd326d-10
0.623
MAT-POS-e6dd326d-13
0.623
EDJ-MED-f893e2a1-6
0.622
EDJ-MED-15e90dfc-2
0.621
EDJ-MED-15e90dfc-4
0.619
MAT-POS-e6dd326d-14
0.619
EDG-MED-70ae9412-1
0.617
EDJ-MED-4c7486ba-2
0.617
EDJ-MED-4c7486ba-5
0.617
EDJ-MED-28ec730d-2
0.616
ALP-UNI-0676e700-16
0.615
RAL-THA-e002e396-11
0.613
EDJ-MED-f893e2a1-9
0.612
ALP-UNI-0676e700-19
0.612
KAD-UNI-8a629cb0-41
0.612
RAL-THA-e002e396-5
0.611
EDJ-MED-f893e2a1-4
0.610
RAL-THA-e002e396-4
0.610