Molecular Properties | |
SMILES: | NC(=O)COc1ccc(C(=O)NC[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)cc1 |
MW: | 544.15 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 132.64 |
cLogP: | 3.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-UNI-0676e700-5
0.812
ALP-UNI-0676e700-11
0.806
ALP-UNI-0676e700-13
0.722
ALP-UNI-0676e700-29
0.713
ALP-UNI-0676e700-17
0.712
MAT-POS-e6dd326d-6
0.710
MAT-POS-e6dd326d-12
0.701
MAT-POS-e6dd326d-9
0.698
ALP-UNI-0676e700-10
0.695
MAT-POS-45b13633-2
0.692
MAT-POS-e6dd326d-2
0.692
ALP-UNI-0676e700-9
0.692
MAT-POS-e6dd326d-7
0.691
ALP-UNI-0676e700-15
0.686
MAT-POS-e6dd326d-8
0.685
EDJ-MED-40433386-10
0.682
ALP-UNI-0676e700-6
0.675
MAT-POS-a3f7f96a-9
0.672
KAD-UNI-cb0f2bbc-9
0.672
DAR-DIA-ecdbc7dd-16
0.667
EDJ-MED-40433386-2
0.664
EDJ-MED-4c7486ba-8
0.664
EDJ-MED-4c7486ba-11
0.664
MAT-POS-3b97339c-3
0.664
EDJ-MED-4c7486ba-1
0.661
EDG-MED-70ae9412-2
0.661
EDJ-MED-4c7486ba-4
0.661
KAD-UNI-b13decd3-12
0.658
EDJ-MED-40433386-4
0.655
EDJ-MED-15e90dfc-5
0.655
EDJ-MED-15e90dfc-3
0.652
EDJ-MED-424a8a89-1
0.652
MAT-POS-e6dd326d-4
0.651
EDJ-MED-f893e2a1-8
0.651
ALP-UNI-0676e700-20
0.650
ALP-UNI-0676e700-14
0.648
EDJ-MED-15e90dfc-4
0.647
EDJ-MED-424a8a89-2
0.645
EDJ-MED-4c7486ba-12
0.643
MAT-POS-3b97339c-1
0.643
EDJ-MED-40433386-3
0.643
EDJ-MED-40433386-7
0.643
EDJ-MED-4c7486ba-9
0.643
ALP-UNI-0676e700-23
0.640
MAT-POS-e6dd326d-11
0.640
EDJ-MED-40433386-5
0.638
MAT-POS-e6dd326d-10
0.637
MAT-POS-61f37a1a-6
0.637
KAD-UNI-cb0f2bbc-16
0.637
EDJ-MED-40433386-8
0.636
MAT-POS-2bb0cf2b-1
0.636
MAT-POS-45b13633-1
0.636
EDG-MED-971238d3-5
0.636
MAT-POS-e6dd326d-1
0.636
EDJ-MED-8c98ee63-1
0.635
ALP-UNI-0676e700-22
0.634
KAD-UNI-8a629cb0-45
0.634
MAT-POS-e6dd326d-14
0.632
ALP-UNI-0676e700-28
0.631
ALP-UNI-0676e700-8
0.631
EDJ-MED-28ec730d-2
0.631
EDJ-MED-4c7486ba-5
0.630
EDG-MED-70ae9412-1
0.630
EDJ-MED-4c7486ba-3
0.630
EDJ-MED-4c7486ba-6
0.630
EDJ-MED-4c7486ba-2
0.630
MAT-POS-e6dd326d-5
0.628
ALP-UNI-0676e700-16
0.628
MAT-POS-9db1e783-2
0.626
EDG-MED-971238d3-2
0.626
KAD-UNI-8a629cb0-41
0.625
ALP-UNI-0676e700-19
0.625
EDJ-MED-f893e2a1-4
0.624
RAL-THA-58fba2bc-3
0.624
MAT-POS-45b13633-4
0.624
EDG-MED-971238d3-3
0.624
EDG-MED-971238d3-6
0.624
EDG-MED-971238d3-10
0.624
RAL-THA-58fba2bc-1
0.624
ALP-UNI-0676e700-7
0.623
MAT-POS-e6dd326d-13
0.623
EDG-MED-971238d3-7
0.622
ALP-UNI-0676e700-26
0.621
EDJ-MED-15e90dfc-2
0.621
ALP-UNI-0676e700-3
0.620
MAT-POS-45b13633-3
0.618
MAT-POS-e6dd326d-3
0.618
EDJ-MED-f893e2a1-3
0.617
EDJ-MED-15e90dfc-7
0.617
ALP-UNI-0676e700-25
0.614
EDJ-MED-28ec730d-1
0.614
RAL-THA-e002e396-13
0.614
ALP-UNI-0676e700-30
0.613
RAL-THA-e002e396-11
0.613
RAL-THA-e002e396-2
0.613
EDJ-MED-f893e2a1-9
0.612
EDJ-MED-f893e2a1-10
0.610
JAG-UCB-706446eb-3
0.609
EDG-MED-971238d3-9
0.609
JAG-UCB-706446eb-4
0.609