Molecular Properties | |
SMILES: | CNC(=O)CN1C[C@]2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)cc(F)c2S1(=O)=O |
MW: | 502.09 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 99.68 |
cLogP: | 2.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
ALP-POS-4483ae88-2
0.721
VLA-UNK-f2612802-2
0.698
VLA-UNK-61877630-4
0.633
VLA-UNK-8e615992-1
0.633
VLA-UNK-5d8210f0-1
0.633
LUO-POS-e1dab717-11
0.625
EDJ-MED-8bb691af-4
0.596
LUO-POS-868e8996-11
0.596
MAT-POS-c7726e07-5
0.596
MAT-POS-c7726e07-6
0.596
LUO-POS-868e8996-12
0.596
LUO-POS-e1dab717-12
0.590
EDJ-MED-8bb691af-8
0.582
PET-UNK-14142a25-10
0.582
LUO-POS-9931618f-1
0.582
PET-UNK-14142a25-1
0.582
MIK-ENA-37e0b697-1
0.582
MIK-ENA-794411b8-1
0.582
LUO-POS-9931618f-2
0.582
VLA-UNK-8e615992-3
0.571
ALP-POS-c3a90b22-6
0.561
EDJ-MED-976a33d5-3
0.557
VLA-UNK-61877630-5
0.557
VLA-UNK-8e615992-2
0.557
VLA-UNK-5d8210f0-2
0.557
ALP-POS-c3a90b22-5
0.557
MAT-POS-566864e2-4
0.553
ALP-POS-ecbed2ba-7
0.553
MAT-POS-576f7758-1
0.553
MAT-POS-69786b79-1
0.553
LUO-POS-e1dab717-1
0.553
MAT-POS-566864e2-3
0.553
MIK-ENA-4a1c9a78-1
0.552
MIK-ENA-1494235a-1
0.552
MIK-ENA-4ed700b1-1
0.552
ALP-POS-c3a90b22-2
0.543
MAT-POS-69786b79-3
0.543
EDJ-MED-98c0a822-1
0.542
ALP-POS-c3a90b22-4
0.542
ALP-POS-afe0272e-2
0.540
VLA-UNK-5d8210f0-3
0.539
MAT-POS-e48723dc-1
0.538
LUO-POS-e1dab717-2
0.538
EDJ-MED-976a33d5-1
0.538
MAT-POS-576f7758-2
0.538
MAT-POS-e48723dc-2
0.538
LUO-POS-e1dab717-19
0.536
ALP-POS-afe0272e-1
0.535
EDJ-MED-98c0a822-2
0.533
JOH-MSK-4bb3d434-1
0.530
ALP-POS-c3a90b22-1
0.529
EDJ-MED-98c0a822-3
0.529
MAT-POS-e75f6e44-7
0.529
EDJ-MED-40e596c8-1
0.526
BRU-THA-ae0174a8-1
0.525
ALP-POS-ecbed2ba-14
0.525
EDJ-MED-6b23330e-6
0.525
MAT-POS-e75f6e44-6
0.525
EDJ-MED-6b23330e-1
0.521
EDJ-MED-6b23330e-2
0.521
EDJ-MED-6b23330e-5
0.521
MAT-POS-e75f6e44-4
0.521
EDJ-MED-6b23330e-7
0.521
MAT-POS-e75f6e44-2
0.521
ALP-POS-c3a90b22-3
0.521
EDJ-MED-33064c06-13
0.521
EDJ-MED-98c0a822-4
0.521
LUO-POS-ed2cfb03-2
0.518
ALP-POS-133e7cd9-1
0.517
EDJ-MED-6b23330e-4
0.517
ALP-POS-c3a90b22-10
0.516
MAT-POS-e75f6e44-20
0.516
MAT-POS-e75f6e44-5
0.513
MAT-POS-566864e2-2
0.513
ALP-POS-ecbed2ba-12
0.513
MAT-POS-69786b79-2
0.513
MAT-POS-566864e2-1
0.513
MAT-POS-e75f6e44-1
0.513
EDJ-MED-33064c06-5
0.512
MAT-POS-e75f6e44-15
0.512
MAT-POS-e75f6e44-19
0.512
MAT-POS-e75f6e44-16
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
PET-UNK-14142a25-2
0.508
PET-UNK-14142a25-11
0.508
MAT-POS-e75f6e44-3
0.508
EDJ-MED-33064c06-3
0.508
VLA-UNK-61877630-7
0.508
VLA-UNK-e334495f-1
0.508
EDJ-MED-40e596c8-3
0.508
EDJ-MED-33064c06-16
0.508
MAT-POS-e75f6e44-10
0.508
EDJ-MED-7587a9ee-3
0.504
VLA-UNK-3bd6fc51-1
0.504
EDJ-MED-3af0740c-1
0.504
EDJ-MED-33064c06-1
0.504
MAT-POS-e75f6e44-17
0.504