Molecular Properties | |
SMILES: | CC(=O)N1CC2CC1CN2C(=O)C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 518.17 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 91.84 |
cLogP: | 3.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-UNI-3496895b-3
1.000
ALP-UNI-76695c4f-6
1.000
ALP-UNI-8e43a71e-3
1.000
KAD-UNI-80f122c8-2
1.000
KAD-UNI-8a629cb0-42
0.882
EDG-MED-ba1ac7b9-13
0.864
EDG-MED-ba1ac7b9-23
0.802
EDG-MED-ba1ac7b9-7
0.736
EDJ-MED-d203f206-33
0.728
EDG-MED-ba1ac7b9-2
0.727
EDG-MED-ba1ac7b9-1
0.721
EDG-MED-ba1ac7b9-15
0.719
EDJ-MED-d203f206-38
0.704
EDG-MED-ba1ac7b9-18
0.703
EDJ-MED-d203f206-22
0.702
EDJ-MED-d203f206-41
0.702
MAT-POS-45b13633-4
0.699
EDG-MED-971238d3-10
0.699
RAL-THA-58fba2bc-1
0.699
MAT-POS-f9802937-5
0.695
MAT-POS-f9802937-6
0.695
MAT-POS-5d65ec79-2
0.695
EDG-MED-ba1ac7b9-26
0.695
EDG-MED-ba1ac7b9-27
0.695
EDJ-MED-d203f206-30
0.690
MAT-POS-f9802937-4
0.689
MAT-POS-5d65ec79-1
0.689
MAT-POS-f9802937-3
0.689
MAT-POS-45b13633-5
0.689
EDJ-MED-d203f206-8
0.684
EDJ-MED-d203f206-15
0.678
EDJ-MED-d203f206-42
0.678
EDJ-MED-d203f206-43
0.672
EDJ-MED-d203f206-26
0.672
KAD-UNI-8a629cb0-15
0.672
ALP-UNI-3496895b-6
0.672
KAD-UNI-80f122c8-4
0.672
ALP-UNI-76695c4f-7
0.672
ALP-UNI-8e43a71e-6
0.672
EDG-MED-ba1ac7b9-25
0.672
EDJ-MED-d203f206-19
0.670
KAD-UNI-8a629cb0-31
0.670
ALP-UNI-76695c4f-10
0.670
EDG-MED-ba1ac7b9-10
0.664
EDJ-MED-d203f206-40
0.664
EDG-MED-ba1ac7b9-32
0.664
EDG-MED-ba1ac7b9-20
0.661
ALP-UNI-8e43a71e-9
0.661
KAD-UNI-8a629cb0-17
0.661
KAD-UNI-80f122c8-5
0.661
ALP-UNI-76695c4f-8
0.661
ALP-UNI-3496895b-9
0.661
EDJ-MED-d203f206-37
0.661
EDG-MED-ba1ac7b9-19
0.659
EDG-MED-ba1ac7b9-4
0.658
EDG-MED-ba1ac7b9-14
0.658
ALP-UNI-3496895b-2
0.656
EDJ-MED-d203f206-16
0.656
ALP-UNI-8e43a71e-2
0.656
EDG-MED-ba1ac7b9-12
0.656
EDG-MED-ba1ac7b9-28
0.655
EDJ-MED-d203f206-11
0.655
EDJ-MED-d203f206-25
0.655
EDJ-MED-d203f206-34
0.652
EDG-MED-ba1ac7b9-11
0.650
EDJ-MED-d203f206-10
0.650
ALP-POS-67d5babe-4
0.650
EDG-MED-ba1ac7b9-3
0.649
ALP-UNI-3496895b-1
0.648
ALP-UNI-8e43a71e-1
0.648
ALP-POS-2da19ca7-4
0.648
KAD-UNI-8a629cb0-5
0.648
ALP-UNI-76695c4f-2
0.648
EDJ-MED-d203f206-14
0.645
EDJ-MED-d203f206-3
0.645
EDG-MED-ba1ac7b9-8
0.643
EDJ-MED-d203f206-24
0.643
EDG-MED-ba1ac7b9-5
0.642
KAD-UNI-8a629cb0-8
0.642
ALP-UNI-76695c4f-5
0.642
MAT-POS-e6dd326d-2
0.642
MAT-POS-45b13633-2
0.642
EDG-MED-ba1ac7b9-21
0.640
ALP-POS-2da19ca7-2
0.639
EDG-MED-ba1ac7b9-33
0.639
ALP-POS-5bb456a5-8
0.639
ALP-POS-5bb456a5-7
0.639
RAL-THA-e002e396-2
0.639
RAL-THA-e002e396-1
0.639
MAT-POS-9db1e783-2
0.638
EDG-MED-971238d3-2
0.638
EDJ-MED-d203f206-13
0.638
EDJ-MED-d203f206-7
0.638
ALP-POS-67d5babe-3
0.637
EDJ-MED-d203f206-36
0.636
KAD-UNI-8a629cb0-33
0.636
ALP-POS-5bb456a5-10
0.636
ALP-POS-2da19ca7-1
0.636
ALP-POS-5bb456a5-9
0.636
JAG-UCB-706446eb-7
0.636