Molecular Properties | |
SMILES: | N#C[C@@H]1CN(C(=O)C[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)CCO1 |
MW: | 490.14 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 104.55 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDG-MED-ba1ac7b9-14
0.772
EDJ-MED-d203f206-26
0.743
EDJ-MED-d203f206-43
0.743
EDG-MED-ba1ac7b9-7
0.732
EDJ-MED-d203f206-37
0.732
EDG-MED-ba1ac7b9-25
0.726
EDJ-MED-d203f206-40
0.718
EDJ-MED-d203f206-35
0.708
EDJ-MED-d203f206-24
0.707
EDJ-MED-d203f206-36
0.703
ALP-UNI-3496895b-7
0.703
ALP-UNI-8e43a71e-7
0.703
ALP-UNI-3496895b-6
0.697
KAD-UNI-8a629cb0-15
0.697
ALP-UNI-76695c4f-7
0.697
KAD-UNI-80f122c8-4
0.697
ALP-UNI-8e43a71e-6
0.697
KAD-UNI-8a629cb0-7
0.694
ALP-UNI-76695c4f-4
0.694
KAD-UNI-80f122c8-3
0.694
EDJ-MED-d203f206-27
0.694
EDJ-MED-d203f206-10
0.689
ALP-POS-67d5babe-3
0.689
EDG-MED-ba1ac7b9-1
0.687
ALP-UNI-3496895b-9
0.686
KAD-UNI-8a629cb0-17
0.686
KAD-UNI-80f122c8-5
0.686
EDJ-MED-d203f206-9
0.686
ALP-UNI-76695c4f-8
0.686
ALP-UNI-8e43a71e-9
0.686
ALP-POS-2da19ca7-4
0.686
KAD-UNI-8a629cb0-5
0.686
ALP-UNI-76695c4f-2
0.686
ALP-POS-2da19ca7-5
0.683
ALP-POS-5bb456a5-5
0.683
ALP-POS-5bb456a5-6
0.683
EDG-MED-ba1ac7b9-4
0.683
ALP-UNI-76695c4f-10
0.681
KAD-UNI-8a629cb0-31
0.681
EDG-MED-ba1ac7b9-28
0.681
EDJ-MED-d203f206-39
0.681
EDJ-MED-d203f206-21
0.680
EDG-MED-971238d3-10
0.679
MAT-POS-45b13633-4
0.679
RAL-THA-58fba2bc-1
0.679
EDG-MED-ba1ac7b9-2
0.678
ALP-POS-67d5babe-4
0.675
EDG-MED-ba1ac7b9-32
0.675
EDG-MED-ba1ac7b9-15
0.672
ALP-UNI-8e43a71e-8
0.672
ALP-UNI-3496895b-8
0.672
EDJ-MED-d203f206-6
0.672
MAT-POS-5d65ec79-1
0.670
MAT-POS-f9802937-3
0.670
MAT-POS-f9802937-4
0.670
EDJ-MED-d203f206-41
0.669
KAD-UNI-8a629cb0-8
0.667
KAD-UNI-8a629cb0-42
0.667
EDG-MED-ba1ac7b9-5
0.667
ALP-UNI-76695c4f-5
0.667
EDG-MED-ba1ac7b9-13
0.667
ALP-POS-5bb456a5-8
0.664
EDG-MED-ba1ac7b9-33
0.664
ALP-POS-5bb456a5-7
0.664
EDG-MED-ba1ac7b9-26
0.664
ALP-POS-2da19ca7-2
0.664
KAD-UNI-8a629cb0-21
0.661
ALP-UNI-3496895b-10
0.661
KAD-UNI-8a629cb0-33
0.661
ALP-POS-2da19ca7-1
0.661
ALP-POS-5bb456a5-10
0.661
ALP-POS-5bb456a5-9
0.661
ALP-UNI-8e43a71e-10
0.661
ALP-UNI-76695c4f-9
0.661
MAT-POS-f9802937-6
0.661
MAT-POS-f9802937-5
0.661
MAT-POS-5d65ec79-2
0.661
ALP-POS-2da19ca7-6
0.659
ALP-POS-5bb456a5-3
0.659
ALP-POS-5bb456a5-4
0.659
EDG-MED-ba1ac7b9-31
0.659
EDJ-MED-d203f206-38
0.658
EDJ-MED-d203f206-30
0.658
EDJ-MED-d203f206-32
0.656
ALP-UNI-76695c4f-6
0.655
ALP-UNI-3496895b-3
0.655
ALP-UNI-8e43a71e-3
0.655
KAD-UNI-80f122c8-2
0.655
EDJ-MED-d203f206-22
0.655
KAD-UNI-8a629cb0-10
0.655
EDG-MED-ba1ac7b9-8
0.655
MAT-POS-45b13633-5
0.655
EDJ-MED-d203f206-19
0.653
EDG-MED-ba1ac7b9-27
0.650
EDG-MED-ba1ac7b9-20
0.645
ALP-UNI-3496895b-11
0.643
ALP-UNI-8e43a71e-11
0.643
EDJ-MED-d203f206-33
0.639
EDJ-MED-d203f206-8
0.639
EDG-MED-ba1ac7b9-23
0.637