Molecular Properties | |
SMILES: | CNC(=O)CN1C[C@@]2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)cc(F)c2C1=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-8e615992-1
1.000
VLA-UNK-8e615992-3
0.830
PET-UNK-14142a25-10
0.735
LUO-POS-9931618f-1
0.735
PET-UNK-14142a25-1
0.735
MIK-ENA-37e0b697-1
0.735
MIK-ENA-794411b8-1
0.735
LUO-POS-9931618f-2
0.735
EDJ-MED-8bb691af-8
0.735
VLA-UNK-61877630-5
0.699
VLA-UNK-8e615992-2
0.699
VLA-UNK-5d8210f0-1
0.689
ALP-POS-afe0272e-2
0.683
PET-UNK-14142a25-2
0.642
PET-UNK-14142a25-11
0.642
EDJ-MED-8bb691af-4
0.635
LUO-POS-868e8996-11
0.635
MAT-POS-c7726e07-5
0.635
MAT-POS-c7726e07-6
0.635
LUO-POS-868e8996-12
0.635
VLA-UNK-f2612802-3
0.633
JOH-MSK-4bb3d434-1
0.623
EDJ-MED-33064c06-2
0.615
EDJ-MED-33064c06-3
0.607
VLA-UNK-5d8210f0-2
0.606
ALP-POS-c3a90b22-5
0.606
EDG-MED-b1ef7fe3-1
0.604
LUO-POS-8c3e556a-1
0.604
LUO-POS-8c3e556a-2
0.604
EDJ-MED-3af0740c-1
0.604
EDJ-MED-33064c06-1
0.604
EDJ-MED-33064c06-18
0.600
EDG-MED-b1ef7fe3-3
0.600
EDJ-MED-33064c06-5
0.598
EDJ-MED-33064c06-12
0.598
EDJ-MED-33064c06-8
0.595
EDJ-MED-4cb9dd84-1
0.595
EDJ-MED-33064c06-10
0.593
EDJ-MED-b6c6ee2b-6
0.591
ALP-POS-4483ae88-2
0.591
EDG-MED-b1ef7fe3-2
0.591
EDJ-MED-33064c06-15
0.589
EDG-MED-b1ef7fe3-4
0.589
VLA-UNK-5d8210f0-3
0.587
MIK-ENA-4a1c9a78-1
0.586
MIK-ENA-1494235a-1
0.586
MIK-ENA-4ed700b1-1
0.586
EDJ-MED-33064c06-14
0.584
ALP-POS-afe0272e-1
0.583
ALP-POS-c3a90b22-11
0.579
EDJ-MED-33064c06-6
0.578
EDJ-MED-976a33d5-3
0.577
EDJ-MED-33064c06-4
0.574
EDJ-MED-33064c06-17
0.574
ALP-POS-c3a90b22-12
0.574
EDJ-MED-33064c06-9
0.574
ALP-POS-ecbed2ba-14
0.571
VLA-UNK-f2612802-2
0.571
PET-UNK-aa57768f-2
0.570
PET-UNK-aa57768f-3
0.570
PET-UNK-aa57768f-8
0.570
PET-UNK-aa57768f-9
0.570
LUO-POS-e1dab717-19
0.570
ALP-POS-c3a90b22-6
0.568
PET-UNK-4c71d490-3
0.566
PET-UNK-4c71d490-7
0.566
MAT-POS-38eb6498-6
0.566
EDJ-MED-6b23330e-1
0.566
MAT-POS-e75f6e44-2
0.566
MAT-POS-69786b79-3
0.562
EDJ-MED-98c0a822-1
0.561
MAT-POS-566864e2-4
0.559
ALP-POS-ecbed2ba-7
0.559
MAT-POS-576f7758-1
0.559
MAT-POS-69786b79-1
0.559
LUO-POS-e1dab717-1
0.559
MAT-POS-566864e2-3
0.559
MAT-POS-e48723dc-1
0.558
MAT-POS-e75f6e44-5
0.558
BRU-THA-ae0174a8-1
0.558
LUO-POS-e1dab717-2
0.558
EDJ-MED-976a33d5-1
0.558
MAT-POS-576f7758-2
0.558
MAT-POS-e48723dc-2
0.558
MAT-POS-e75f6e44-15
0.557
EDJ-MED-6b23330e-6
0.557
MAT-POS-e75f6e44-6
0.557
PET-UNK-14142a25-8
0.553
PET-UNK-14142a25-17
0.553
MAT-POS-ddfe83c6-1
0.553
EDJ-MED-6b23330e-2
0.553
EDJ-MED-6b23330e-5
0.553
MAT-POS-e75f6e44-4
0.553
EDJ-MED-6b23330e-7
0.553
EDJ-MED-7d88f880-1
0.552
ALP-POS-133e7cd9-1
0.550
ALP-POS-c3a90b22-2
0.549
EDJ-MED-0d144977-2
0.549
ALP-POS-c3a90b22-1
0.548
EDJ-MED-98c0a822-3
0.548