Molecular Properties | |
SMILES: | CC(C(N)=O)N1CCN(C(=O)C[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)CC1 |
MW: | 535.2 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 117.86 |
cLogP: | 2.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
KAD-UNI-8a629cb0-8
1.000
EDG-MED-ba1ac7b9-5
0.802
KAD-UNI-8a629cb0-33
0.763
ALP-UNI-3496895b-8
0.746
ALP-UNI-8e43a71e-8
0.746
EDG-MED-ba1ac7b9-28
0.739
ALP-POS-5bb456a5-10
0.733
ALP-POS-2da19ca7-1
0.733
ALP-UNI-3496895b-7
0.733
ALP-POS-5bb456a5-9
0.733
ALP-UNI-8e43a71e-7
0.733
EDJ-MED-d203f206-37
0.732
ALP-UNI-8e43a71e-9
0.730
KAD-UNI-8a629cb0-17
0.730
ALP-UNI-76695c4f-8
0.730
ALP-UNI-3496895b-9
0.730
KAD-UNI-80f122c8-5
0.730
KAD-UNI-8a629cb0-21
0.718
EDJ-MED-d203f206-36
0.718
EDG-MED-ba1ac7b9-32
0.718
ALP-UNI-76695c4f-9
0.718
ALP-UNI-3496895b-10
0.718
ALP-UNI-8e43a71e-10
0.718
EDG-MED-ba1ac7b9-33
0.706
ALP-POS-5bb456a5-7
0.706
ALP-POS-2da19ca7-2
0.706
ALP-POS-5bb456a5-8
0.706
EDJ-MED-d203f206-10
0.703
ALP-POS-67d5babe-4
0.703
ALP-POS-2da19ca7-4
0.700
KAD-UNI-8a629cb0-5
0.700
ALP-UNI-76695c4f-2
0.700
EDG-MED-ba1ac7b9-31
0.700
ALP-POS-2da19ca7-5
0.697
ALP-POS-5bb456a5-6
0.697
ALP-POS-5bb456a5-5
0.697
KAD-UNI-8a629cb0-31
0.696
ALP-UNI-76695c4f-10
0.696
EDJ-MED-d203f206-39
0.695
EDG-MED-ba1ac7b9-7
0.687
EDG-MED-ba1ac7b9-1
0.687
EDJ-MED-d203f206-9
0.686
EDJ-MED-d203f206-26
0.684
EDJ-MED-d203f206-43
0.684
KAD-UNI-80f122c8-4
0.683
KAD-UNI-8a629cb0-15
0.683
ALP-UNI-3496895b-6
0.683
ALP-UNI-76695c4f-7
0.683
ALP-UNI-8e43a71e-6
0.683
EDG-MED-ba1ac7b9-14
0.683
EDG-MED-ba1ac7b9-25
0.683
KAD-UNI-8a629cb0-42
0.681
RAL-THA-58fba2bc-1
0.679
EDG-MED-971238d3-10
0.679
MAT-POS-45b13633-4
0.679
MAT-POS-f9802937-6
0.676
MAT-POS-5d65ec79-2
0.676
MAT-POS-f9802937-5
0.676
MAT-POS-45b13633-5
0.670
MAT-POS-5d65ec79-1
0.670
MAT-POS-f9802937-3
0.670
MAT-POS-f9802937-4
0.670
EDJ-MED-d203f206-22
0.669
EDG-MED-ba1ac7b9-4
0.669
ALP-UNI-3496895b-11
0.669
ALP-UNI-8e43a71e-11
0.669
EDJ-MED-d203f206-25
0.667
EDJ-MED-d203f206-27
0.667
EDG-MED-ba1ac7b9-2
0.664
EDJ-MED-d203f206-40
0.661
ALP-POS-2da19ca7-6
0.659
ALP-POS-5bb456a5-4
0.659
ALP-POS-5bb456a5-3
0.659
EDJ-MED-d203f206-30
0.658
EDG-MED-ba1ac7b9-15
0.658
EDJ-MED-d203f206-8
0.653
EDG-MED-ba1ac7b9-13
0.653
ALP-POS-67d5babe-3
0.648
EDG-MED-ba1ac7b9-20
0.645
EDJ-MED-d203f206-38
0.645
ALP-UNI-3496895b-3
0.642
EDJ-MED-d203f206-41
0.642
KAD-UNI-80f122c8-2
0.642
KAD-UNI-8a629cb0-10
0.642
ALP-UNI-76695c4f-6
0.642
ALP-UNI-8e43a71e-3
0.642
EDJ-MED-d203f206-21
0.641
DAR-DIA-ecdbc7dd-18
0.640
EDJ-MED-d203f206-35
0.640
KAD-UNI-8a629cb0-7
0.640
ALP-UNI-76695c4f-4
0.640
KAD-UNI-80f122c8-3
0.640
EDJ-MED-d203f206-33
0.639
EDJ-MED-d203f206-19
0.639
KAD-UNI-8a629cb0-6
0.638
ALP-UNI-76695c4f-3
0.638
ALP-POS-2da19ca7-3
0.638
EDG-MED-ba1ac7b9-27
0.637
EDG-MED-ba1ac7b9-26
0.637
EDG-MED-ba1ac7b9-6
0.636