Molecular Properties | |
SMILES: | CN1CCC(OCC(=O)NC[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)CC1 |
MW: | 522.2 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 92.79 |
cLogP: | 3.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
EDG-MED-70ae9412-2
0.709
EDJ-MED-4c7486ba-1
0.709
EDJ-MED-4c7486ba-4
0.709
MAT-POS-e6dd326d-8
0.704
MAT-POS-e6dd326d-9
0.701
DAR-DIA-ecdbc7dd-16
0.700
MAT-POS-e6dd326d-6
0.697
ALP-UNI-0676e700-4
0.692
EDJ-MED-4c7486ba-2
0.690
EDG-MED-70ae9412-1
0.690
EDJ-MED-4c7486ba-5
0.690
MAT-POS-e6dd326d-12
0.688
MAT-POS-45b13633-2
0.679
MAT-POS-e6dd326d-2
0.679
EDJ-MED-424a8a89-2
0.679
MAT-POS-e6dd326d-7
0.679
MAT-POS-e6dd326d-4
0.670
EDJ-MED-40433386-5
0.655
EDJ-MED-40433386-10
0.655
EDJ-MED-15e90dfc-3
0.655
EDJ-MED-424a8a89-1
0.655
EDJ-MED-f893e2a1-8
0.655
MAT-POS-e6dd326d-14
0.650
DAR-DIA-ecdbc7dd-2
0.649
EDJ-MED-15e90dfc-7
0.649
ALP-UNI-0676e700-2
0.648
EDJ-MED-4c7486ba-6
0.647
EDJ-MED-4c7486ba-3
0.647
MAT-POS-e6dd326d-5
0.646
ALP-UNI-0676e700-16
0.645
EDJ-MED-40433386-4
0.643
ALP-UNI-0676e700-19
0.642
KAD-UNI-8a629cb0-41
0.642
MAT-POS-e6dd326d-10
0.640
ALP-UNI-0676e700-7
0.639
ALP-UNI-0676e700-24
0.639
EDJ-MED-8c98ee63-1
0.638
ALP-UNI-0676e700-12
0.637
DAR-DIA-ecdbc7dd-13
0.636
EDJ-MED-40433386-3
0.632
EDJ-MED-4c7486ba-9
0.632
EDJ-MED-40433386-7
0.632
EDJ-MED-4c7486ba-12
0.632
MAT-POS-3b97339c-1
0.632
EDJ-MED-40433386-9
0.632
RAL-THA-e002e396-11
0.631
ALP-UNI-0676e700-23
0.630
EDJ-MED-15e90dfc-5
0.629
EDJ-MED-f893e2a1-9
0.629
MAT-POS-e6dd326d-11
0.628
MAT-POS-e6dd326d-13
0.626
EDG-MED-ba1ac7b9-30
0.626
EDJ-MED-40433386-8
0.625
DAR-DIA-ecdbc7dd-4
0.625
ALP-UNI-0676e700-28
0.621
KAD-UNI-8a629cb0-36
0.621
ALP-UNI-0676e700-8
0.621
EDJ-MED-28ec730d-2
0.619
ALP-UNI-0676e700-29
0.618
MAT-POS-9db1e783-2
0.615
EDG-MED-971238d3-2
0.615
DAR-DIA-ecdbc7dd-3
0.614
ALP-POS-477dc5b7-3
0.614
RAL-THA-e002e396-12
0.614
KAD-UNI-cb0f2bbc-18
0.613
ALP-UNI-0676e700-21
0.613
MAT-POS-61f37a1a-9
0.613
EDG-MED-971238d3-3
0.613
RAL-THA-58fba2bc-3
0.613
DAR-DIA-6a508060-13
0.612
EDJ-MED-15e90dfc-6
0.612
EDJ-MED-8c98ee63-2
0.612
KAD-UNI-cb0f2bbc-22
0.612
MAT-POS-61f37a1a-3
0.612
ALP-UNI-0676e700-26
0.611
ALP-UNI-0676e700-18
0.611
MAT-POS-5d65ec79-2
0.611
MAT-POS-f9802937-5
0.611
MAT-POS-f9802937-6
0.611
EDJ-MED-15e90dfc-2
0.610
EDJ-MED-fcba3f31-4
0.610
MAT-POS-fc9ede84-1
0.610
ALP-UNI-0676e700-3
0.610
MAT-POS-2bb0cf2b-1
0.609
EDG-MED-971238d3-5
0.609
MAT-POS-e6dd326d-1
0.609
MAT-POS-45b13633-1
0.609
MAT-POS-e6dd326d-3
0.607
MAT-POS-45b13633-3
0.607
EDJ-MED-f893e2a1-3
0.607
DAR-DIA-ecdbc7dd-18
0.607
ALP-POS-9c80c481-1
0.607
MAT-POS-45b13633-5
0.605
DAR-DIA-ecdbc7dd-5
0.603
DAR-DIA-ecdbc7dd-11
0.603
EDJ-MED-40433386-6
0.603
RAL-THA-e002e396-1
0.602
RAL-THA-e002e396-2
0.602
ALP-UNI-0676e700-11
0.602
EDJ-MED-40433386-1
0.602