Molecular Properties | |
SMILES: | CN(C)CC(=O)NC[C@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 452.16 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 83.56 |
cLogP: | 3.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
EDJ-MED-4c7486ba-1
1.000
EDG-MED-70ae9412-2
1.000
MAT-POS-e6dd326d-9
0.806
MAT-POS-e6dd326d-12
0.789
MAT-POS-45b13633-2
0.783
MAT-POS-e6dd326d-2
0.783
MAT-POS-e6dd326d-6
0.781
MAT-POS-e6dd326d-8
0.771
MAT-POS-e6dd326d-4
0.768
MAT-POS-e6dd326d-7
0.758
EDJ-MED-4c7486ba-3
0.750
EDJ-MED-4c7486ba-6
0.750
EDJ-MED-f893e2a1-8
0.750
DAR-DIA-ecdbc7dd-16
0.747
EDJ-MED-40433386-10
0.747
EDJ-MED-424a8a89-2
0.742
MAT-POS-e6dd326d-5
0.737
EDJ-MED-4c7486ba-2
0.733
EDJ-MED-4c7486ba-5
0.733
EDG-MED-70ae9412-1
0.733
EDJ-MED-40433386-4
0.733
MAT-POS-e6dd326d-13
0.730
MAT-POS-e6dd326d-3
0.729
MAT-POS-45b13633-3
0.729
MAT-POS-3b97339c-1
0.718
EDJ-MED-4c7486ba-9
0.718
EDJ-MED-40433386-3
0.718
EDJ-MED-4c7486ba-12
0.718
EDJ-MED-40433386-7
0.718
MAT-POS-e6dd326d-11
0.717
MAT-POS-2bb0cf2b-1
0.716
EDG-MED-971238d3-5
0.716
MAT-POS-45b13633-1
0.716
MAT-POS-e6dd326d-1
0.716
MAT-POS-e6dd326d-10
0.713
EDJ-MED-424a8a89-1
0.713
EDJ-MED-15e90dfc-3
0.713
EDJ-MED-40433386-5
0.712
ALP-UNI-0676e700-30
0.709
EDJ-MED-15e90dfc-2
0.709
EDJ-MED-15e90dfc-7
0.706
EDG-MED-971238d3-2
0.705
MAT-POS-9db1e783-2
0.705
RAL-THA-e002e396-11
0.704
ALP-UNI-0676e700-12
0.703
ALP-UNI-0676e700-4
0.703
RAL-THA-58fba2bc-3
0.701
EDG-MED-971238d3-3
0.701
ALP-UNI-0676e700-8
0.700
ALP-UNI-0676e700-2
0.700
EDJ-MED-15e90dfc-5
0.699
MAT-POS-5d65ec79-2
0.697
MAT-POS-f9802937-5
0.697
MAT-POS-f9802937-6
0.697
ALP-UNI-0676e700-19
0.694
KAD-UNI-8a629cb0-41
0.694
MAT-POS-fc9ede84-1
0.692
EDJ-MED-8c98ee63-1
0.692
EDJ-MED-40433386-8
0.692
EDJ-MED-28ec730d-2
0.690
MAT-POS-f9802937-3
0.690
MAT-POS-f9802937-4
0.690
MAT-POS-5d65ec79-1
0.690
EDJ-MED-f893e2a1-3
0.689
EDJ-MED-15e90dfc-1
0.689
MAT-POS-e6dd326d-14
0.689
EDJ-MED-f893e2a1-1
0.689
ALP-UNI-0676e700-3
0.688
RAL-THA-e002e396-2
0.687
RAL-THA-e002e396-1
0.687
MAT-POS-45b13633-4
0.684
EDG-MED-971238d3-9
0.684
EDG-MED-971238d3-6
0.684
RAL-THA-58fba2bc-1
0.684
EDG-MED-971238d3-10
0.684
JAG-UCB-706446eb-3
0.684
RAL-THA-e002e396-12
0.683
EDJ-MED-f893e2a1-9
0.683
ALP-UNI-0676e700-29
0.682
DAR-DIA-6a508060-13
0.680
JAG-UCB-706446eb-2
0.680
EDJ-MED-f893e2a1-10
0.679
ALP-UNI-0676e700-11
0.679
DAR-DIA-ecdbc7dd-13
0.677
RAL-THA-e002e396-7
0.676
EDJ-MED-4c7486ba-8
0.676
ALP-UNI-0676e700-13
0.676
EDJ-MED-40433386-2
0.676
MAT-POS-3b97339c-3
0.676
EDJ-MED-4c7486ba-11
0.676
MAT-POS-45b13633-5
0.673
EDJ-MED-15e90dfc-4
0.673
ALP-UNI-0676e700-28
0.670
ALP-POS-477dc5b7-3
0.667
RAL-THA-e002e396-5
0.667
ALP-UNI-0676e700-16
0.667
ALP-UNI-0676e700-23
0.664
EDJ-MED-40433386-6
0.664
EDJ-MED-f893e2a1-4
0.664
EDG-MED-971238d3-8
0.663