Molecular Properties | |
SMILES: | CNC(=O)CN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)c(F)cc2C1=O |
MW: | 466.12 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 82.61 |
cLogP: | 2.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UNK-61877630-5
1.000
ALP-POS-afe0272e-2
0.819
LUO-POS-9931618f-2
0.763
PET-UNK-14142a25-1
0.763
PET-UNK-14142a25-10
0.763
EDJ-MED-8bb691af-8
0.763
LUO-POS-9931618f-1
0.763
MIK-ENA-37e0b697-1
0.763
MIK-ENA-794411b8-1
0.763
VLA-UNK-61877630-4
0.699
VLA-UNK-8e615992-1
0.699
VLA-UNK-8e615992-3
0.680
PET-UNK-14142a25-2
0.651
PET-UNK-14142a25-11
0.651
JOH-MSK-4bb3d434-1
0.648
VLA-UNK-5d8210f0-2
0.645
VLA-UNK-f2612802-2
0.639
EDJ-MED-33064c06-3
0.631
ALP-POS-c3a90b22-5
0.630
EDJ-MED-3af0740c-1
0.627
EDJ-MED-33064c06-1
0.627
EDJ-MED-33064c06-2
0.624
EDJ-MED-33064c06-18
0.624
EDJ-MED-33064c06-5
0.622
EDJ-MED-33064c06-12
0.622
EDJ-MED-33064c06-8
0.618
EDJ-MED-4cb9dd84-1
0.618
EDG-MED-b1ef7fe3-2
0.615
EDJ-MED-b6c6ee2b-6
0.615
LUO-POS-8c3e556a-1
0.613
EDG-MED-b1ef7fe3-1
0.613
EDG-MED-b1ef7fe3-4
0.613
LUO-POS-8c3e556a-2
0.613
EDJ-MED-33064c06-15
0.613
EDG-MED-b1ef7fe3-3
0.609
EDJ-MED-33064c06-14
0.607
EDJ-MED-33064c06-10
0.602
ALP-POS-c3a90b22-11
0.602
EDJ-MED-33064c06-6
0.600
EDJ-MED-33064c06-4
0.596
EDJ-MED-33064c06-17
0.596
EDJ-MED-33064c06-9
0.596
ALP-POS-c3a90b22-12
0.596
PET-UNK-aa57768f-8
0.594
PET-UNK-aa57768f-9
0.594
PET-UNK-aa57768f-2
0.594
PET-UNK-aa57768f-3
0.594
MAT-POS-ddfe83c6-1
0.589
MAT-POS-38eb6498-6
0.589
EDJ-MED-8bb691af-4
0.583
LUO-POS-868e8996-11
0.583
MAT-POS-c7726e07-5
0.583
LUO-POS-868e8996-12
0.583
MAT-POS-c7726e07-6
0.583
ALP-POS-afe0272e-1
0.578
VLA-UNK-5d8210f0-1
0.577
PET-UNK-4c71d490-7
0.575
PET-UNK-4c71d490-3
0.575
EDJ-MED-7d88f880-1
0.574
ALP-POS-4483ae88-2
0.571
EDJ-MED-0d144977-2
0.571
ALP-POS-c3a90b22-1
0.570
EDJ-MED-98c0a822-3
0.570
LUO-POS-e1dab717-2
0.566
EDJ-MED-976a33d5-1
0.566
MAT-POS-e48723dc-1
0.566
MAT-POS-e48723dc-2
0.566
MAT-POS-576f7758-2
0.566
PET-UNK-37c7074c-1
0.562
PET-UNK-37c7074c-3
0.562
PET-UNK-6af7266d-3
0.562
PET-UNK-6af7266d-1
0.562
EDJ-MED-0d144977-3
0.561
EDJ-MED-cc48ee33-7
0.561
EDJ-MED-40e596c8-4
0.560
MAT-POS-853c0ffa-1
0.558
MAT-POS-1d5ab790-3
0.558
EDJ-MED-976a33d5-3
0.558
EDJ-MED-98c0a822-1
0.557
VLA-UNK-f2612802-3
0.557
MAT-POS-38eb6498-4
0.554
EDJ-MED-b6c6ee2b-5
0.554
VLA-UNK-5d8210f0-3
0.554
PET-UNK-37c7074c-2
0.549
PET-UNK-37c7074c-4
0.549
MAT-POS-1bed62cf-2
0.549
LUO-POS-868e8996-7
0.549
LUO-POS-868e8996-8
0.549
PET-UNK-14142a25-8
0.548
PET-UNK-14142a25-17
0.548
EDJ-MED-0d144977-1
0.548
EDJ-MED-40e596c8-5
0.548
EDJ-MED-33064c06-13
0.547
EDJ-MED-98c0a822-4
0.547
ALP-POS-c3a90b22-3
0.547
PET-UNK-c6bcc80b-13
0.546
PET-UNK-c6bcc80b-6
0.546
PET-UNK-aa57768f-7
0.544
PET-UNK-aa57768f-1
0.544
ALP-POS-c3a90b22-2
0.544