Molecular Properties | |
SMILES: | O=C(Cc1cnc[nH]1)NC[C@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 475.14 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 109.0 |
cLogP: | 3.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
EDJ-MED-4c7486ba-6
1.000
EDG-MED-70ae9412-2
0.750
EDJ-MED-4c7486ba-1
0.750
EDJ-MED-4c7486ba-4
0.750
MAT-POS-e6dd326d-9
0.725
MAT-POS-e6dd326d-8
0.712
MAT-POS-e6dd326d-12
0.712
MAT-POS-e6dd326d-6
0.705
MAT-POS-e6dd326d-2
0.703
MAT-POS-45b13633-2
0.703
EDJ-MED-4c7486ba-2
0.696
EDJ-MED-4c7486ba-5
0.696
EDG-MED-70ae9412-1
0.696
MAT-POS-e6dd326d-11
0.695
MAT-POS-e6dd326d-4
0.692
EDJ-MED-f893e2a1-8
0.692
DAR-DIA-ecdbc7dd-16
0.692
EDJ-MED-40433386-10
0.692
MAT-POS-e6dd326d-7
0.685
EDJ-MED-40433386-4
0.679
EDJ-MED-424a8a89-1
0.676
EDJ-MED-15e90dfc-3
0.676
EDG-MED-90036822-49
0.676
EDJ-MED-424a8a89-2
0.670
EDJ-MED-f893e2a1-1
0.670
EDJ-MED-15e90dfc-1
0.670
EDJ-MED-40433386-3
0.667
EDJ-MED-4c7486ba-9
0.667
ALP-UNI-0676e700-8
0.667
MAT-POS-3b97339c-1
0.667
EDJ-MED-4c7486ba-12
0.667
EDJ-MED-40433386-7
0.667
MAT-POS-45b13633-4
0.663
RAL-THA-58fba2bc-1
0.663
EDG-MED-971238d3-10
0.663
ALP-UNI-0676e700-11
0.661
EDJ-MED-40433386-5
0.661
MAT-POS-e6dd326d-10
0.661
MAT-POS-e6dd326d-13
0.661
EDJ-MED-f893e2a1-6
0.658
EDJ-MED-15e90dfc-2
0.658
EDJ-MED-8c98ee63-1
0.658
EDJ-MED-15e90dfc-7
0.655
EDJ-MED-f893e2a1-3
0.655
ALP-UNI-0676e700-2
0.653
MAT-POS-e6dd326d-5
0.651
RAL-THA-e002e396-11
0.651
MAT-POS-9db1e783-2
0.650
EDG-MED-971238d3-2
0.650
EDJ-MED-15e90dfc-5
0.649
RAL-THA-58fba2bc-3
0.648
JAG-UCB-706446eb-3
0.648
EDG-MED-971238d3-3
0.648
EDG-MED-971238d3-9
0.648
ALP-UNI-0676e700-30
0.647
ALP-UNI-0676e700-19
0.647
KAD-UNI-8a629cb0-41
0.647
JAG-UCB-706446eb-2
0.645
MAT-POS-5d65ec79-2
0.645
MAT-POS-f9802937-5
0.645
MAT-POS-f9802937-6
0.645
MAT-POS-45b13633-1
0.644
MAT-POS-e6dd326d-1
0.644
EDG-MED-971238d3-5
0.644
MAT-POS-2bb0cf2b-1
0.644
EDJ-MED-40433386-2
0.644
MAT-POS-3b97339c-3
0.644
EDJ-MED-4c7486ba-8
0.644
EDJ-MED-4c7486ba-11
0.644
EDJ-MED-f893e2a1-7
0.643
EDJ-MED-40433386-8
0.643
ALP-UNI-0676e700-4
0.642
ALP-UNI-0676e700-12
0.642
EDJ-MED-15e90dfc-4
0.640
MAT-POS-5d65ec79-1
0.639
MAT-POS-f9802937-3
0.639
MAT-POS-f9802937-4
0.639
EDJ-MED-28ec730d-2
0.639
ALP-UNI-0676e700-28
0.639
ALP-UNI-0676e700-29
0.636
RAL-THA-e002e396-1
0.636
RAL-THA-e002e396-2
0.636
EDJ-MED-f893e2a1-9
0.634
ALP-UNI-0676e700-10
0.633
RAL-THA-e002e396-12
0.633
EDG-MED-971238d3-6
0.632
EDJ-MED-f893e2a1-10
0.632
EDJ-MED-f893e2a1-4
0.632
ALP-UNI-0676e700-21
0.630
ALP-UNI-0676e700-24
0.630
ALP-UNI-0676e700-13
0.630
RAL-THA-e002e396-6
0.630
EDJ-MED-15e90dfc-6
0.629
ALP-UNI-0676e700-6
0.628
ALP-UNI-0676e700-22
0.628
ALP-UNI-0676e700-26
0.628
KAD-UNI-8a629cb0-45
0.628
ALP-UNI-0676e700-3
0.627
DAR-DIA-ecdbc7dd-13
0.626
MAT-POS-45b13633-3
0.626