Molecular Properties | |
SMILES: | CN(C1CCN(C(=O)C[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)CC1)S(C)(=O)=O |
MW: | 570.17 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 108.91 |
cLogP: | 3.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-UNI-76695c4f-8
1.000
KAD-UNI-8a629cb0-17
1.000
ALP-UNI-3496895b-9
1.000
ALP-UNI-8e43a71e-9
1.000
ALP-POS-67d5babe-4
0.835
EDG-MED-ba1ac7b9-28
0.826
ALP-UNI-76695c4f-2
0.765
ALP-POS-2da19ca7-4
0.765
KAD-UNI-8a629cb0-5
0.765
ALP-POS-2da19ca7-5
0.748
ALP-POS-5bb456a5-6
0.748
ALP-POS-5bb456a5-5
0.748
EDJ-MED-d203f206-37
0.739
ALP-POS-67d5babe-3
0.737
ALP-UNI-3496895b-11
0.731
ALP-UNI-8e43a71e-11
0.731
EDG-MED-ba1ac7b9-5
0.730
KAD-UNI-8a629cb0-8
0.730
ALP-UNI-76695c4f-5
0.730
EDG-MED-ba1ac7b9-32
0.724
KAD-UNI-8a629cb0-33
0.724
ALP-UNI-3496895b-8
0.722
ALP-UNI-8e43a71e-8
0.722
EDJ-MED-d203f206-26
0.719
EDJ-MED-d203f206-43
0.719
ALP-UNI-76695c4f-10
0.717
KAD-UNI-8a629cb0-31
0.717
EDG-MED-ba1ac7b9-2
0.714
ALP-POS-2da19ca7-2
0.712
EDG-MED-ba1ac7b9-33
0.712
ALP-POS-5bb456a5-7
0.712
ALP-POS-5bb456a5-8
0.712
ALP-POS-5bb456a5-9
0.709
EDJ-MED-d203f206-40
0.709
EDJ-MED-d203f206-10
0.709
ALP-POS-2da19ca7-1
0.709
ALP-POS-5bb456a5-10
0.709
EDG-MED-ba1ac7b9-7
0.708
EDJ-MED-d203f206-9
0.707
EDG-MED-ba1ac7b9-31
0.706
ALP-UNI-76695c4f-7
0.703
EDG-MED-ba1ac7b9-4
0.703
KAD-UNI-80f122c8-4
0.703
KAD-UNI-8a629cb0-15
0.703
ALP-UNI-3496895b-6
0.703
ALP-UNI-8e43a71e-6
0.703
KAD-UNI-8a629cb0-21
0.695
ALP-UNI-76695c4f-9
0.695
ALP-UNI-3496895b-10
0.695
ALP-UNI-3496895b-7
0.695
ALP-UNI-8e43a71e-7
0.695
ALP-UNI-8e43a71e-10
0.695
EDG-MED-ba1ac7b9-1
0.693
EDG-MED-ba1ac7b9-15
0.692
MAT-POS-f9802937-3
0.692
MAT-POS-5d65ec79-1
0.692
MAT-POS-f9802937-4
0.692
EDJ-MED-d203f206-41
0.690
EDG-MED-ba1ac7b9-14
0.689
EDG-MED-ba1ac7b9-25
0.689
EDJ-MED-d203f206-19
0.687
EDJ-MED-d203f206-25
0.686
KAD-UNI-80f122c8-3
0.686
EDJ-MED-d203f206-35
0.686
EDJ-MED-d203f206-27
0.686
KAD-UNI-8a629cb0-7
0.686
ALP-UNI-76695c4f-4
0.686
EDG-MED-971238d3-10
0.686
MAT-POS-45b13633-4
0.686
RAL-THA-58fba2bc-1
0.686
MAT-POS-f9802937-5
0.682
MAT-POS-f9802937-6
0.682
MAT-POS-5d65ec79-2
0.682
EDJ-MED-d203f206-36
0.681
EDJ-MED-d203f206-38
0.678
MAT-POS-45b13633-5
0.676
EDJ-MED-d203f206-22
0.675
RAL-THA-e002e396-1
0.673
EDG-MED-ba1ac7b9-13
0.672
EDJ-MED-d203f206-39
0.672
MAT-POS-e6dd326d-4
0.667
ALP-POS-5bb456a5-4
0.664
ALP-POS-2da19ca7-6
0.664
ALP-POS-5bb456a5-3
0.664
EDJ-MED-d203f206-30
0.664
ALP-UNI-3496895b-3
0.661
KAD-UNI-8a629cb0-10
0.661
ALP-UNI-76695c4f-6
0.661
ALP-UNI-8e43a71e-3
0.661
KAD-UNI-80f122c8-2
0.661
EDJ-MED-d203f206-8
0.658
KAD-UNI-8a629cb0-42
0.658
MAT-POS-e6dd326d-5
0.658
RAL-THA-e002e396-2
0.657
KAD-UNI-8a629cb0-6
0.656
ALP-UNI-76695c4f-3
0.656
EDG-MED-ba1ac7b9-27
0.656
EDJ-MED-d203f206-42
0.653
EDJ-MED-d203f206-15
0.653
EDG-MED-ba1ac7b9-3
0.652