Molecular Properties | |
SMILES: | NC(=O)COc1cccc(C(=O)NC[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)c1 |
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-0676e700-21
0.812
ALP-UNI-0676e700-11
0.709
MAT-POS-e6dd326d-6
0.694
ALP-UNI-0676e700-9
0.691
ALP-UNI-0676e700-13
0.678
ALP-UNI-0676e700-29
0.669
ALP-UNI-0676e700-17
0.669
MAT-POS-e6dd326d-9
0.667
MAT-POS-e6dd326d-7
0.661
ALP-UNI-0676e700-8
0.659
ALP-UNI-0676e700-15
0.659
MAT-POS-e6dd326d-8
0.655
MAT-POS-e6dd326d-12
0.655
ALP-UNI-0676e700-10
0.653
EDJ-MED-40433386-10
0.652
DAR-DIA-ecdbc7dd-16
0.652
ALP-UNI-0676e700-6
0.648
KAD-UNI-cb0f2bbc-9
0.646
MAT-POS-a3f7f96a-9
0.646
MAT-POS-45b13633-2
0.645
MAT-POS-e6dd326d-2
0.645
EDJ-MED-40433386-2
0.637
EDJ-MED-4c7486ba-11
0.637
MAT-POS-3b97339c-3
0.637
EDJ-MED-4c7486ba-8
0.637
ALP-UNI-0676e700-14
0.636
EDJ-MED-4c7486ba-1
0.632
EDJ-MED-4c7486ba-4
0.632
EDG-MED-70ae9412-2
0.632
ALP-UNI-0676e700-28
0.632
KAD-UNI-b13decd3-12
0.632
EDJ-MED-15e90dfc-5
0.627
EDJ-MED-40433386-4
0.627
ALP-UNI-0676e700-20
0.625
EDJ-MED-15e90dfc-3
0.624
EDJ-MED-424a8a89-1
0.624
EDJ-MED-f893e2a1-8
0.623
MAT-POS-e6dd326d-4
0.623
KAD-UNI-8a629cb0-45
0.622
ALP-UNI-0676e700-22
0.622
EDJ-MED-15e90dfc-4
0.620
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
ALP-UNI-0676e700-23
0.615
MAT-POS-e6dd326d-5
0.615
KAD-UNI-cb0f2bbc-16
0.612
MAT-POS-61f37a1a-6
0.612
MAT-POS-e6dd326d-11
0.612
EDJ-MED-40433386-5
0.612
ALP-UNI-0676e700-7
0.611
MAT-POS-e6dd326d-10
0.610
EDJ-MED-40433386-8
0.610
ALP-UNI-0676e700-26
0.609
EDJ-MED-8c98ee63-1
0.608
MAT-POS-e6dd326d-1
0.607
MAT-POS-45b13633-1
0.607
MAT-POS-2bb0cf2b-1
0.607
EDG-MED-971238d3-5
0.607
MAT-POS-e6dd326d-14
0.607
EDJ-MED-4c7486ba-2
0.605
EDJ-MED-4c7486ba-5
0.605
EDJ-MED-4c7486ba-6
0.605
EDG-MED-70ae9412-1
0.605
EDJ-MED-4c7486ba-3
0.605
EDJ-MED-28ec730d-2
0.603
ALP-UNI-0676e700-16
0.603
RAL-THA-e002e396-13
0.602
ALP-UNI-0676e700-19
0.600
KAD-UNI-8a629cb0-41
0.600
EDJ-MED-f893e2a1-10
0.598
EDJ-MED-f893e2a1-4
0.598
EDG-MED-971238d3-2
0.598
MAT-POS-9db1e783-2
0.598
MAT-POS-e6dd326d-13
0.597
EDG-MED-971238d3-3
0.596
RAL-THA-58fba2bc-1
0.596
EDG-MED-971238d3-6
0.596
EDG-MED-971238d3-10
0.596
MAT-POS-45b13633-4
0.596
RAL-THA-58fba2bc-3
0.596
EDJ-MED-15e90dfc-2
0.595
EDJ-MED-f893e2a1-2
0.593
EDJ-MED-15e90dfc-7
0.592
EDJ-MED-f893e2a1-3
0.592
MAT-POS-45b13633-3
0.591
MAT-POS-e6dd326d-3
0.591
ALP-UNI-0676e700-27
0.591
ALP-UNI-0676e700-25
0.591
MAT-POS-f9802937-4
0.590
MAT-POS-5d65ec79-1
0.590
MAT-POS-f9802937-3
0.590
ALP-UNI-0676e700-30
0.589
EDJ-MED-f893e2a1-9
0.587
RAL-THA-e002e396-2
0.586
RAL-THA-e002e396-11
0.586
ALP-UNI-0676e700-4
0.585