Molecular Properties | |
SMILES: | CNC(=O)CCN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O |
MW: | 462.15 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 82.61 |
cLogP: | 3.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-8bb691af-8
0.800
MIK-ENA-37e0b697-1
0.800
PET-UNK-14142a25-1
0.800
LUO-POS-9931618f-1
0.800
MIK-ENA-794411b8-1
0.800
LUO-POS-9931618f-2
0.800
PET-UNK-14142a25-10
0.800
JOH-MSK-4bb3d434-1
0.747
EDJ-MED-40e596c8-4
0.740
EDJ-MED-33064c06-3
0.724
EDJ-MED-33064c06-5
0.714
PET-UNK-aa57768f-2
0.707
PET-UNK-aa57768f-3
0.707
PET-UNK-aa57768f-8
0.707
PET-UNK-aa57768f-9
0.707
EDJ-MED-0d144977-5
0.705
EDJ-MED-33064c06-1
0.705
EDJ-MED-33064c06-2
0.702
EDJ-MED-33064c06-18
0.702
EDJ-MED-33064c06-12
0.698
EDJ-MED-cc48ee33-7
0.695
EDJ-MED-0d144977-3
0.695
EDJ-MED-4cb9dd84-1
0.695
EDJ-MED-33064c06-8
0.695
EDJ-MED-0d144977-2
0.692
EDJ-MED-0d144977-4
0.689
EDJ-MED-3af0740c-1
0.689
EDJ-MED-33064c06-15
0.689
EDJ-MED-33064c06-6
0.688
MAT-POS-576f7758-2
0.686
EDJ-MED-976a33d5-1
0.686
LUO-POS-e1dab717-2
0.686
MAT-POS-e48723dc-1
0.686
MAT-POS-e48723dc-2
0.686
PET-UNK-37c7074c-1
0.683
PET-UNK-37c7074c-3
0.683
PET-UNK-14142a25-2
0.683
PET-UNK-14142a25-11
0.683
EDJ-MED-33064c06-14
0.682
EDJ-MED-33064c06-10
0.676
ALP-POS-c3a90b22-11
0.676
ALP-POS-c3a90b22-1
0.673
EDJ-MED-98c0a822-3
0.673
ALP-POS-c3a90b22-12
0.670
EDJ-MED-33064c06-9
0.670
EDJ-MED-33064c06-4
0.670
EDJ-MED-33064c06-17
0.670
PET-UNK-37c7074c-2
0.667
PET-UNK-37c7074c-4
0.667
PET-UNK-6af7266d-3
0.667
PET-UNK-6af7266d-1
0.667
EDJ-MED-0d144977-1
0.664
EDJ-MED-40e596c8-5
0.664
ALP-POS-c3a90b22-3
0.661
EDJ-MED-98c0a822-4
0.661
EDJ-MED-33064c06-13
0.661
PET-UNK-aa57768f-1
0.660
PET-UNK-aa57768f-7
0.660
ALP-POS-c3a90b22-6
0.651
EDJ-MED-cc48ee33-2
0.645
EDG-MED-b1ef7fe3-4
0.644
LUO-POS-8c3e556a-1
0.644
LUO-POS-8c3e556a-2
0.644
EDG-MED-b1ef7fe3-1
0.644
EDJ-MED-33064c06-11
0.637
ALP-POS-c3a90b22-9
0.637
ALP-POS-c3a90b22-8
0.636
VLA-UNK-61877630-5
0.630
VLA-UNK-8e615992-2
0.630
ALP-POS-afe0272e-2
0.629
MAT-POS-38eb6498-6
0.618
EDJ-MED-b6c6ee2b-6
0.615
EDG-MED-b1ef7fe3-2
0.615
EDJ-MED-59d5ca70-1
0.614
EDJ-MED-8bb691af-4
0.613
LUO-POS-868e8996-11
0.613
MAT-POS-c7726e07-5
0.613
MAT-POS-c7726e07-6
0.613
LUO-POS-868e8996-12
0.613
EDG-MED-b1ef7fe3-3
0.609
EDJ-MED-9f4ac58c-6
0.607
VLA-UNK-8e615992-1
0.606
VLA-UNK-61877630-4
0.606
MAT-POS-ddfe83c6-1
0.604
PET-UNK-aa57768f-11
0.602
PET-UNK-aa57768f-5
0.602
PET-UNK-aa57768f-6
0.602
PET-UNK-aa57768f-12
0.602
EDJ-MED-7d88f880-1
0.602
EDJ-MED-9f4ac58c-2
0.598
PET-UNK-14142a25-3
0.593
LUO-POS-e1dab717-14
0.593
PET-UNK-14142a25-12
0.593
PET-UNK-4c71d490-3
0.589
PET-UNK-4c71d490-7
0.589
ALP-POS-4483ae88-2
0.586
ALP-POS-ecbed2ba-7
0.582
MAT-POS-69786b79-1
0.582
MAT-POS-576f7758-1
0.582
MAT-POS-566864e2-3
0.582