Molecular Properties | |
SMILES: | CNC(=O)CN1C[C@]2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)c(F)cc2S1(=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
0.788
VLA-UNK-f2612802-3
0.698
LUO-POS-e1dab717-11
0.682
LUO-POS-e1dab717-12
0.643
VLA-UNK-61877630-5
0.639
VLA-UNK-8e615992-2
0.639
VLA-UNK-5d8210f0-2
0.639
EDJ-MED-976a33d5-3
0.580
EDJ-MED-98c0a822-1
0.579
LUO-POS-868e8996-11
0.578
MAT-POS-c7726e07-5
0.578
MAT-POS-c7726e07-6
0.578
LUO-POS-868e8996-12
0.578
LUO-POS-9931618f-1
0.578
PET-UNK-14142a25-1
0.578
MIK-ENA-37e0b697-1
0.578
ALP-POS-afe0272e-2
0.578
MIK-ENA-794411b8-1
0.578
LUO-POS-9931618f-2
0.578
EDJ-MED-8bb691af-8
0.578
EDJ-MED-8bb691af-4
0.578
PET-UNK-14142a25-10
0.578
ALP-POS-afe0272e-1
0.573
VLA-UNK-61877630-4
0.571
VLA-UNK-8e615992-1
0.571
VLA-UNK-5d8210f0-1
0.571
VLA-UNK-8e615992-3
0.568
VLA-UNK-5d8210f0-3
0.562
EDJ-MED-98c0a822-2
0.556
ALP-POS-c3a90b22-6
0.544
ALP-POS-c3a90b22-2
0.539
ALP-POS-c3a90b22-5
0.539
ALP-POS-c3a90b22-1
0.538
EDJ-MED-98c0a822-3
0.538
MAT-POS-566864e2-4
0.535
ALP-POS-ecbed2ba-7
0.535
MAT-POS-576f7758-1
0.535
MAT-POS-69786b79-1
0.535
LUO-POS-e1dab717-1
0.535
MAT-POS-566864e2-3
0.535
MIK-ENA-1494235a-1
0.534
MIK-ENA-4ed700b1-1
0.534
LUO-POS-e1dab717-2
0.534
EDJ-MED-976a33d5-1
0.534
MAT-POS-576f7758-2
0.534
MAT-POS-e48723dc-2
0.534
MIK-ENA-4a1c9a78-1
0.534
MAT-POS-e48723dc-1
0.534
EDJ-MED-6b23330e-2
0.530
JAG-UCB-f37eaa14-1
0.528
JOH-MSK-4bb3d434-1
0.526
MAT-POS-69786b79-3
0.526
ALP-POS-c3a90b22-4
0.525
EDJ-MED-40e596c8-1
0.522
ALP-POS-41e2080f-1
0.519
EDJ-MED-94fddcec-4
0.519
EDJ-MED-d4864bdc-3
0.519
LUO-POS-e1dab717-19
0.518
VLA-UNK-f2612802-1
0.517
ALP-POS-c3a90b22-3
0.517
EDJ-MED-33064c06-13
0.517
EDJ-MED-98c0a822-4
0.517
MAT-POS-e75f6e44-7
0.513
EDJ-MED-33064c06-15
0.513
BRU-THA-ae0174a8-1
0.508
ALP-POS-ecbed2ba-14
0.508
MAT-POS-69786b79-4
0.508
EDJ-MED-6b23330e-6
0.508
MAT-POS-e75f6e44-6
0.508
EDJ-MED-33064c06-5
0.508
PET-UNK-aa57768f-2
0.504
PET-UNK-aa57768f-3
0.504
PET-UNK-aa57768f-8
0.504
PET-UNK-aa57768f-9
0.504
VLA-UNK-5d8210f0-4
0.504
PET-UNK-14142a25-2
0.504
PET-UNK-14142a25-11
0.504
EDJ-MED-6b23330e-1
0.504
EDJ-MED-6b23330e-5
0.504
MAT-POS-e75f6e44-4
0.504
EDJ-MED-6b23330e-7
0.504
MAT-POS-e75f6e44-2
0.504
MAT-POS-e75f6e44-3
0.504
EDJ-MED-33064c06-16
0.504
MAT-POS-e75f6e44-10
0.504
EDJ-MED-33064c06-3
0.504
ALP-POS-133e7cd9-1
0.500
LUO-POS-ed2cfb03-2
0.500
VLA-UNK-61877630-8
0.500
EDJ-MED-6b23330e-4
0.500
ALP-POS-c3a90b22-9
0.500
ALP-POS-c3a90b22-10
0.500
MAT-POS-e75f6e44-20
0.500
EDJ-MED-3af0740c-1
0.500
EDJ-MED-33064c06-1
0.500
EDJ-MED-33064c06-4
0.500
VLA-UNK-e334495f-2
0.500
EDJ-MED-33064c06-11
0.500
EDJ-MED-7587a9ee-3
0.500
MAT-POS-e75f6e44-16
0.496