Molecular Properties | |
SMILES: | NC(=O)NC1CCC(C(=O)NC[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)CC1 |
MW: | 535.2 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 135.44 |
cLogP: | 3.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
DAR-DIA-ecdbc7dd-16
0.869
ALP-UNI-0676e700-16
0.713
MAT-POS-e6dd326d-9
0.698
MAT-POS-e6dd326d-6
0.694
MAT-POS-e6dd326d-8
0.685
MAT-POS-e6dd326d-12
0.685
EDJ-MED-40433386-9
0.683
EDJ-MED-40433386-10
0.682
EDJ-MED-40433386-5
0.681
MAT-POS-45b13633-2
0.676
MAT-POS-e6dd326d-2
0.676
MAT-POS-e6dd326d-7
0.676
EDJ-MED-f893e2a1-9
0.670
ALP-UNI-0676e700-24
0.664
EDG-MED-70ae9412-2
0.661
EDJ-MED-4c7486ba-1
0.661
EDJ-MED-4c7486ba-4
0.661
EDJ-MED-40433386-3
0.658
EDJ-MED-4c7486ba-12
0.658
EDJ-MED-40433386-7
0.658
MAT-POS-3b97339c-1
0.658
EDJ-MED-4c7486ba-9
0.658
EDJ-MED-40433386-4
0.655
MAT-POS-e6dd326d-4
0.651
EDJ-MED-f893e2a1-8
0.651
EDJ-MED-40433386-8
0.650
EDJ-MED-15e90dfc-2
0.649
EDJ-MED-424a8a89-2
0.645
MAT-POS-e6dd326d-5
0.643
MAT-POS-e6dd326d-11
0.640
ALP-UNI-0676e700-30
0.639
ALP-UNI-0676e700-11
0.639
EDJ-MED-f893e2a1-4
0.638
MAT-POS-2bb0cf2b-1
0.636
MAT-POS-e6dd326d-1
0.636
EDG-MED-971238d3-5
0.636
MAT-POS-45b13633-1
0.636
ALP-UNI-0676e700-2
0.631
EDG-MED-971238d3-2
0.626
MAT-POS-9db1e783-2
0.626
EDJ-MED-15e90dfc-5
0.626
ALP-POS-477dc5b7-3
0.625
KAD-UNI-8a629cb0-41
0.625
ALP-UNI-0676e700-19
0.625
EDJ-MED-40433386-1
0.624
EDJ-MED-4c7486ba-7
0.624
EDJ-MED-4c7486ba-10
0.624
MAT-POS-932d1078-1
0.624
EDG-MED-971238d3-3
0.624
RAL-THA-58fba2bc-3
0.624
EDG-MED-971238d3-6
0.624
ALP-UNI-0676e700-13
0.623
ALP-UNI-0676e700-21
0.623
MAT-POS-e6dd326d-10
0.623
MAT-POS-e6dd326d-13
0.623
EDJ-MED-15e90dfc-3
0.623
EDJ-MED-424a8a89-1
0.623
EDJ-MED-f893e2a1-6
0.622
ALP-UNI-0676e700-18
0.620
ALP-UNI-0676e700-3
0.620
MAT-POS-e6dd326d-14
0.619
DAR-DIA-ecdbc7dd-13
0.618
EDJ-MED-f893e2a1-3
0.617
EDJ-MED-15e90dfc-7
0.617
EDJ-MED-4c7486ba-3
0.617
EDJ-MED-4c7486ba-6
0.617
EDJ-MED-4c7486ba-2
0.617
EDG-MED-70ae9412-1
0.617
EDJ-MED-4c7486ba-5
0.617
EDJ-MED-40433386-6
0.613
ALP-UNI-0676e700-5
0.611
DAR-DIA-ecdbc7dd-3
0.611
EDJ-MED-40433386-2
0.610
EDJ-MED-4c7486ba-11
0.610
MAT-POS-3b97339c-3
0.610
EDJ-MED-4c7486ba-8
0.610
EDG-MED-971238d3-10
0.609
MAT-POS-45b13633-4
0.609
EDG-MED-971238d3-9
0.609
JAG-UCB-706446eb-3
0.609
RAL-THA-58fba2bc-1
0.609
KAD-UNI-b13decd3-3
0.608
EDJ-MED-15e90dfc-6
0.608
MAT-POS-24589f88-12
0.608
ALP-UNI-0676e700-4
0.608
EDG-MED-971238d3-8
0.607
DAR-DIA-ecdbc7dd-4
0.607
RAL-THA-e002e396-6
0.607
EDG-MED-971238d3-7
0.607
EDJ-MED-8c98ee63-1
0.607
EDJ-MED-f893e2a1-1
0.605
EDJ-MED-15e90dfc-1
0.605
EDJ-MED-15e90dfc-4
0.605
ALP-UNI-0676e700-15
0.605
MAT-POS-45b13633-3
0.604
MAT-POS-e6dd326d-3
0.604
MAT-POS-45b13633-5
0.602
EDJ-MED-28ec730d-2
0.602
ALP-UNI-0676e700-29
0.602
ALP-UNI-0676e700-23
0.602