Molecular Properties | |
SMILES: | CNC(=O)CN1C(=O)c2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1C(F)F |
MW: | 498.13 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 82.61 |
cLogP: | 3.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UNK-8e615992-5
1.000
VLA-UNK-61877630-3
0.731
VLA-UNK-8e615992-4
0.731
VLA-UNK-5d8210f0-5
0.651
EDJ-MED-8bb691af-8
0.611
MIK-ENA-37e0b697-1
0.611
PET-UNK-14142a25-1
0.611
LUO-POS-9931618f-1
0.611
MIK-ENA-794411b8-1
0.611
LUO-POS-9931618f-2
0.611
PET-UNK-14142a25-10
0.611
PET-UNK-14142a25-2
0.575
PET-UNK-14142a25-11
0.575
VLA-UNK-5d8210f0-4
0.561
PET-UNK-14142a25-8
0.560
PET-UNK-14142a25-17
0.560
VLA-UNK-f2612802-1
0.560
JOH-MSK-4bb3d434-1
0.558
ALP-POS-c3a90b22-5
0.557
EDJ-MED-33064c06-18
0.552
PET-UNK-14142a25-6
0.551
PET-UNK-14142a25-15
0.551
EDJ-MED-8bb691af-9
0.543
PET-UNK-14142a25-4
0.542
PET-UNK-14142a25-13
0.542
MAT-POS-576f7758-2
0.538
EDJ-MED-976a33d5-1
0.538
LUO-POS-e1dab717-2
0.538
MAT-POS-e48723dc-1
0.538
MAT-POS-e48723dc-2
0.538
EDJ-MED-a12e3a20-2
0.534
EDJ-MED-4cb9dd84-1
0.534
VLA-UNK-e334495f-4
0.533
EDJ-MED-33064c06-3
0.533
ALP-POS-c3a90b22-1
0.529
EDJ-MED-98c0a822-3
0.529
EDJ-MED-3af0740c-1
0.529
EDJ-MED-33064c06-1
0.529
EDJ-MED-33064c06-11
0.528
ALP-POS-c3a90b22-9
0.528
EDJ-MED-33064c06-2
0.525
EDJ-MED-33064c06-5
0.525
EDJ-MED-33064c06-12
0.525
EDJ-MED-33064c06-8
0.521
ALP-POS-c3a90b22-3
0.521
EDJ-MED-98c0a822-4
0.521
EDJ-MED-33064c06-10
0.521
EDJ-MED-33064c06-13
0.521
ALP-POS-c3a90b22-11
0.521
EDJ-MED-33064c06-6
0.520
ALP-POS-4483ae88-2
0.517
PET-UNK-14142a25-9
0.517
PET-UNK-14142a25-18
0.517
EDJ-MED-33064c06-15
0.517
ALP-POS-c3a90b22-12
0.516
EDJ-MED-33064c06-9
0.516
EDJ-MED-33064c06-4
0.516
EDJ-MED-8bb691af-4
0.513
LUO-POS-868e8996-11
0.513
MAT-POS-c7726e07-5
0.513
MAT-POS-c7726e07-6
0.513
LUO-POS-868e8996-12
0.513
EDJ-MED-8bb691af-7
0.513
PET-UNK-14142a25-3
0.512
LUO-POS-e1dab717-14
0.512
PET-UNK-14142a25-12
0.512
EDJ-MED-33064c06-14
0.512
PET-UNK-14142a25-7
0.512
PET-UNK-14142a25-16
0.512
PET-UNK-aa57768f-2
0.509
PET-UNK-aa57768f-3
0.509
PET-UNK-aa57768f-8
0.509
PET-UNK-aa57768f-9
0.509
LUO-POS-868e8996-7
0.508
VLA-UNK-8e615992-1
0.508
LUO-POS-868e8996-8
0.508
VLA-UNK-61877630-4
0.508
MAT-POS-1bed62cf-2
0.508
MIC-UNK-eb20c3e1-2
0.508
EDJ-MED-cc48ee33-2
0.508
EDJ-MED-40e596c8-4
0.508
LUO-POS-f7b1afe6-3
0.504
VLA-UNK-61877630-5
0.504
VLA-UNK-8e615992-2
0.504
EDJ-MED-0d144977-2
0.504
EDJ-MED-33064c06-17
0.504
EDJ-MED-9f4ac58c-6
0.500
LUO-POS-8c3e556a-1
0.500
LUO-POS-8c3e556a-2
0.500
EDG-MED-b1ef7fe3-1
0.500
EDJ-MED-fd8ed875-1
0.500
EDJ-MED-59d5ca70-1
0.496
PET-UNK-4c71d490-3
0.496
PET-UNK-4c71d490-7
0.496
EDJ-MED-40e596c8-5
0.496
PET-UNK-37c7074c-1
0.496
PET-UNK-37c7074c-3
0.496
EDJ-MED-fd8ed875-3
0.496
PET-UNK-14142a25-5
0.492
PET-UNK-14142a25-14
0.492