Molecular Properties | |
SMILES: | N#C[C@]1(C(=O)NC[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)CCOC1 |
MW: | 490.14 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 113.34 |
cLogP: | 3.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-UNI-0676e700-19
0.792
KAD-UNI-8a629cb0-41
0.792
MAT-POS-e6dd326d-12
0.752
EDJ-MED-f893e2a1-2
0.738
MAT-POS-e6dd326d-9
0.733
DAR-DIA-ecdbc7dd-16
0.731
EDJ-MED-40433386-10
0.731
MAT-POS-e6dd326d-2
0.727
MAT-POS-45b13633-2
0.727
MAT-POS-e6dd326d-8
0.718
EDJ-MED-40433386-4
0.717
MAT-POS-e6dd326d-6
0.712
EDJ-MED-40433386-3
0.704
EDJ-MED-4c7486ba-9
0.704
EDJ-MED-4c7486ba-12
0.704
EDJ-MED-40433386-7
0.704
MAT-POS-3b97339c-1
0.704
MAT-POS-e6dd326d-11
0.702
EDJ-MED-40433386-5
0.697
EDJ-MED-4c7486ba-4
0.692
EDJ-MED-4c7486ba-1
0.692
EDG-MED-70ae9412-2
0.692
MAT-POS-e6dd326d-7
0.692
EDJ-MED-f893e2a1-8
0.683
MAT-POS-e6dd326d-4
0.683
ALP-UNI-0676e700-11
0.681
EDJ-MED-40433386-6
0.681
EDJ-MED-424a8a89-2
0.676
MAT-POS-e6dd326d-5
0.673
RAL-THA-58fba2bc-3
0.670
EDG-MED-971238d3-3
0.670
EDJ-MED-f893e2a1-9
0.670
EDJ-MED-15e90dfc-5
0.670
MAT-POS-e6dd326d-13
0.667
MAT-POS-e6dd326d-10
0.667
EDJ-MED-f893e2a1-10
0.667
EDJ-MED-15e90dfc-6
0.664
EDJ-MED-15e90dfc-4
0.661
EDJ-MED-f893e2a1-3
0.661
EDJ-MED-4c7486ba-2
0.658
EDJ-MED-4c7486ba-5
0.658
EDG-MED-70ae9412-1
0.658
EDG-MED-971238d3-2
0.657
MAT-POS-9db1e783-2
0.657
ALP-UNI-0676e700-16
0.655
EDJ-MED-15e90dfc-3
0.651
EDJ-MED-424a8a89-1
0.651
EDG-MED-971238d3-5
0.650
MAT-POS-2bb0cf2b-1
0.650
MAT-POS-e6dd326d-1
0.650
MAT-POS-45b13633-1
0.650
ALP-UNI-0676e700-7
0.650
EDJ-MED-f893e2a1-6
0.649
EDJ-MED-15e90dfc-2
0.649
ALP-UNI-0676e700-3
0.647
EDG-MED-ba1ac7b9-8
0.646
MAT-POS-e6dd326d-14
0.646
EDJ-MED-15e90dfc-7
0.645
EDJ-MED-4c7486ba-3
0.643
EDJ-MED-4c7486ba-6
0.643
ALP-POS-477dc5b7-3
0.639
JAG-UCB-706446eb-3
0.638
EDG-MED-971238d3-6
0.638
MAT-POS-45b13633-4
0.638
EDG-MED-971238d3-10
0.638
EDG-MED-971238d3-9
0.638
RAL-THA-58fba2bc-1
0.638
EDJ-MED-4c7486ba-11
0.636
EDJ-MED-4c7486ba-8
0.636
EDJ-MED-40433386-2
0.636
ALP-UNI-0676e700-24
0.636
ALP-UNI-0676e700-13
0.636
ALP-UNI-0676e700-21
0.636
MAT-POS-3b97339c-3
0.636
MAT-POS-f9802937-5
0.636
EDG-MED-971238d3-8
0.636
MAT-POS-5d65ec79-2
0.636
MAT-POS-f9802937-6
0.636
EDJ-MED-8c98ee63-2
0.635
EDJ-MED-8c98ee63-1
0.634
ALP-UNI-0676e700-26
0.633
ALP-UNI-0676e700-6
0.633
MAT-POS-45b13633-3
0.632
DAR-DIA-ecdbc7dd-13
0.632
MAT-POS-e6dd326d-3
0.632
EDJ-MED-f893e2a1-1
0.632
EDJ-MED-15e90dfc-1
0.632
ALP-UNI-0676e700-2
0.630
ALP-UNI-0676e700-28
0.630
ALP-UNI-0676e700-8
0.630
EDJ-MED-28ec730d-2
0.630
EDJ-MED-40433386-9
0.628
RAL-THA-e002e396-8
0.627
ALP-UNI-0676e700-29
0.627
RAL-THA-e002e396-1
0.626
RAL-THA-e002e396-11
0.626
RAL-THA-e002e396-2
0.626
ALP-UNI-0676e700-30
0.625
RAL-THA-e002e396-5
0.624
ALP-UNI-0676e700-20
0.623