Molecular Properties | |
SMILES: | C[C@@]12CN(C(=O)C[C@@]3(C(=O)Nc4cncc5ccccc45)CCOc4ccc(Cl)cc43)C[C@@]1(C)C(=O)NC2=O |
MW: | 546.17 |
Fraction sp3: | 0.34 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 117.7 |
cLogP: | 3.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
Filter78_bicyclic_Imide
KAD-UNI-8a629cb0-31
1.000
MAT-POS-45b13633-4
0.747
EDG-MED-971238d3-10
0.747
RAL-THA-58fba2bc-1
0.747
EDJ-MED-d203f206-39
0.726
EDJ-MED-d203f206-37
0.718
ALP-UNI-3496895b-9
0.717
KAD-UNI-8a629cb0-17
0.717
ALP-UNI-76695c4f-8
0.717
KAD-UNI-80f122c8-5
0.717
ALP-UNI-8e43a71e-9
0.717
EDJ-MED-d203f206-9
0.717
EDG-MED-ba1ac7b9-28
0.711
MAT-POS-f9802937-5
0.709
MAT-POS-5d65ec79-2
0.709
MAT-POS-f9802937-6
0.709
ALP-POS-67d5babe-4
0.704
EDJ-MED-d203f206-36
0.704
EDG-MED-ba1ac7b9-7
0.703
MAT-POS-5d65ec79-1
0.702
MAT-POS-f9802937-3
0.702
MAT-POS-45b13633-5
0.702
MAT-POS-f9802937-4
0.702
EDJ-MED-d203f206-26
0.699
EDJ-MED-d203f206-43
0.699
ALP-POS-2da19ca7-5
0.698
ALP-POS-5bb456a5-5
0.698
ALP-POS-5bb456a5-6
0.698
ALP-UNI-76695c4f-5
0.696
EDG-MED-ba1ac7b9-5
0.696
KAD-UNI-8a629cb0-8
0.696
EDJ-MED-d203f206-35
0.695
ALP-POS-5bb456a5-10
0.690
KAD-UNI-8a629cb0-33
0.690
ALP-POS-2da19ca7-1
0.690
ALP-POS-5bb456a5-9
0.690
EDJ-MED-d203f206-40
0.690
EDJ-MED-d203f206-10
0.690
ALP-UNI-8e43a71e-8
0.687
ALP-UNI-3496895b-8
0.687
ALP-UNI-76695c4f-2
0.686
ALP-POS-2da19ca7-4
0.686
KAD-UNI-8a629cb0-5
0.686
KAD-UNI-8a629cb0-15
0.684
ALP-UNI-76695c4f-7
0.684
ALP-UNI-8e43a71e-6
0.684
KAD-UNI-80f122c8-4
0.684
EDG-MED-ba1ac7b9-14
0.684
EDG-MED-ba1ac7b9-25
0.684
ALP-UNI-3496895b-6
0.684
EDG-MED-ba1ac7b9-13
0.681
EDJ-MED-d203f206-25
0.681
KAD-UNI-8a629cb0-7
0.681
ALP-UNI-76695c4f-4
0.681
KAD-UNI-80f122c8-3
0.681
EDG-MED-ba1ac7b9-2
0.679
ALP-UNI-3496895b-10
0.675
EDG-MED-ba1ac7b9-32
0.675
ALP-UNI-76695c4f-9
0.675
KAD-UNI-8a629cb0-21
0.675
ALP-UNI-3496895b-7
0.675
ALP-UNI-8e43a71e-7
0.675
ALP-UNI-8e43a71e-10
0.675
EDG-MED-ba1ac7b9-1
0.673
EDG-MED-ba1ac7b9-15
0.672
ALP-UNI-3496895b-3
0.670
ALP-UNI-76695c4f-6
0.670
ALP-UNI-8e43a71e-3
0.670
KAD-UNI-80f122c8-2
0.670
KAD-UNI-8a629cb0-10
0.670
EDG-MED-ba1ac7b9-4
0.669
ALP-UNI-8e43a71e-11
0.669
ALP-UNI-3496895b-11
0.669
KAD-UNI-8a629cb0-42
0.667
EDJ-MED-d203f206-19
0.667
ALP-UNI-76695c4f-3
0.664
ALP-POS-2da19ca7-3
0.664
KAD-UNI-8a629cb0-6
0.664
ALP-POS-5bb456a5-7
0.664
EDG-MED-ba1ac7b9-33
0.664
ALP-POS-2da19ca7-2
0.664
ALP-POS-5bb456a5-8
0.664
ALP-POS-67d5babe-3
0.661
ALP-UNI-8e43a71e-13
0.659
ALP-POS-2da19ca7-6
0.659
ALP-POS-5bb456a5-3
0.659
ALP-POS-5bb456a5-4
0.659
EDJ-MED-d203f206-6
0.659
ALP-UNI-3496895b-13
0.659
EDG-MED-ba1ac7b9-31
0.658
EDJ-MED-d203f206-38
0.658
MAT-POS-e6dd326d-3
0.657
MAT-POS-45b13633-3
0.657
EDJ-MED-d203f206-32
0.656
EDJ-MED-d203f206-41
0.655
EDJ-MED-d203f206-22
0.655
MAT-POS-e6dd326d-2
0.654
MAT-POS-45b13633-2
0.654
EDJ-MED-d203f206-27
0.653
EDJ-MED-d203f206-33
0.653