Molecular Properties | |
SMILES: | NC(=O)[C@]1(O)CCCN(C(=O)C[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)C1 |
MW: | 522.17 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 134.85 |
cLogP: | 2.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-d203f206-9
0.793
EDJ-MED-d203f206-10
0.763
EDJ-MED-d203f206-36
0.748
ALP-UNI-76695c4f-10
0.726
KAD-UNI-8a629cb0-31
0.726
EDJ-MED-d203f206-27
0.723
EDJ-MED-d203f206-43
0.713
EDJ-MED-d203f206-26
0.713
EDJ-MED-d203f206-37
0.702
EDG-MED-ba1ac7b9-1
0.702
ALP-UNI-76695c4f-5
0.695
KAD-UNI-8a629cb0-8
0.695
ALP-POS-67d5babe-3
0.689
EDG-MED-ba1ac7b9-7
0.687
EDJ-MED-d203f206-22
0.684
ALP-POS-5bb456a5-5
0.683
ALP-POS-2da19ca7-5
0.683
ALP-POS-5bb456a5-6
0.683
EDG-MED-ba1ac7b9-5
0.681
EDJ-MED-d203f206-8
0.681
EDJ-MED-d203f206-25
0.681
EDG-MED-971238d3-10
0.679
MAT-POS-45b13633-4
0.679
RAL-THA-58fba2bc-1
0.679
ALP-UNI-3496895b-9
0.672
ALP-UNI-76695c4f-8
0.672
ALP-UNI-8e43a71e-9
0.672
KAD-UNI-80f122c8-5
0.672
ALP-UNI-8e43a71e-8
0.672
KAD-UNI-8a629cb0-17
0.672
ALP-UNI-3496895b-8
0.672
EDJ-MED-d203f206-30
0.672
ALP-UNI-76695c4f-2
0.672
ALP-POS-2da19ca7-4
0.672
KAD-UNI-8a629cb0-5
0.672
EDJ-MED-d203f206-41
0.669
KAD-UNI-8a629cb0-42
0.667
EDG-MED-ba1ac7b9-28
0.667
EDG-MED-ba1ac7b9-2
0.664
ALP-UNI-3496895b-10
0.661
KAD-UNI-8a629cb0-21
0.661
KAD-UNI-8a629cb0-33
0.661
ALP-POS-2da19ca7-1
0.661
ALP-POS-67d5babe-4
0.661
ALP-POS-5bb456a5-10
0.661
ALP-UNI-3496895b-7
0.661
EDG-MED-ba1ac7b9-32
0.661
ALP-UNI-8e43a71e-10
0.661
ALP-UNI-8e43a71e-7
0.661
ALP-UNI-76695c4f-9
0.661
ALP-POS-5bb456a5-9
0.661
EDJ-MED-d203f206-40
0.661
MAT-POS-5d65ec79-2
0.661
MAT-POS-f9802937-6
0.661
MAT-POS-f9802937-5
0.661
EDG-MED-ba1ac7b9-31
0.659
ALP-UNI-76695c4f-7
0.656
ALP-UNI-3496895b-6
0.656
ALP-UNI-8e43a71e-6
0.656
EDG-MED-ba1ac7b9-14
0.656
EDG-MED-ba1ac7b9-25
0.656
KAD-UNI-8a629cb0-15
0.656
EDG-MED-ba1ac7b9-4
0.656
KAD-UNI-80f122c8-4
0.656
MAT-POS-f9802937-3
0.655
MAT-POS-f9802937-4
0.655
MAT-POS-45b13633-5
0.655
MAT-POS-5d65ec79-1
0.655
EDJ-MED-d203f206-21
0.654
KAD-UNI-80f122c8-3
0.653
KAD-UNI-8a629cb0-7
0.653
ALP-UNI-76695c4f-4
0.653
EDJ-MED-d203f206-19
0.653
ALP-POS-5bb456a5-7
0.650
ALP-POS-5bb456a5-8
0.650
ALP-POS-2da19ca7-2
0.650
EDG-MED-ba1ac7b9-33
0.650
EDJ-MED-d203f206-42
0.648
EDJ-MED-d203f206-15
0.648
ALP-POS-2da19ca7-6
0.646
ALP-POS-5bb456a5-3
0.646
ALP-POS-5bb456a5-4
0.646
EDJ-MED-d203f206-38
0.645
EDG-MED-ba1ac7b9-15
0.645
ALP-UNI-8e43a71e-11
0.643
ALP-UNI-3496895b-11
0.643
EDJ-MED-d203f206-24
0.641
EDJ-MED-d203f206-35
0.640
EDJ-MED-d203f206-33
0.639
EDG-MED-ba1ac7b9-13
0.639
ALP-POS-2da19ca7-3
0.638
ALP-UNI-8e43a71e-13
0.633
ALP-UNI-3496895b-13
0.633
EDG-MED-ba1ac7b9-20
0.632
DAR-DIA-ecdbc7dd-4
0.631
EDJ-MED-d203f206-32
0.630
MAT-POS-2bb0cf2b-1
0.630
MAT-POS-45b13633-1
0.630
MAT-POS-e6dd326d-1
0.630
EDG-MED-971238d3-5
0.630