Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@]3(CCN(c4cncc5ccccc45)C3=O)C2C(F)(F)F)CC1 |
MW: | 574.11 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 94.37 |
cLogP: | 4.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
Hetero_hetero
VLA-UNK-e334495f-3
1.000
VLA-UNK-e334495f-4
0.745
VLA-UNK-5d8210f0-4
0.598
MIK-ENA-be04d1d4-1
0.590
MIK-ENA-e143773d-1
0.590
MIK-ENA-edcfce18-1
0.590
MIK-ENA-0547b12c-1
0.590
MAT-POS-50a80394-2
0.590
EDJ-MED-8bb691af-6
0.583
MIK-ENA-5d9157e9-1
0.583
MIK-ENA-5d9157e9-2
0.583
ALP-POS-ecbed2ba-4
0.583
MIK-ENA-99706bb8-1
0.576
MIK-ENA-17e27e9c-1
0.576
MIK-ENA-623fe2a6-1
0.576
MIK-ENA-2c0ad173-1
0.576
MAT-POS-50a80394-1
0.576
MAT-POS-b3212acf-2
0.571
MIC-UNK-257d841f-1
0.571
MIC-UNK-257d841f-2
0.570
MAT-POS-50a80394-3
0.567
MAT-POS-b3212acf-1
0.567
EDJ-MED-7e491f08-1
0.556
ALP-POS-c3a90b22-7
0.556
ALP-POS-133e7cd9-2
0.555
LUO-POS-f7b1afe6-1
0.552
ALP-POS-01611061-2
0.552
MIC-UNK-c85ea37c-3
0.548
ALP-POS-ecbed2ba-8
0.546
MIC-UNK-c85ea37c-1
0.543
EDJ-MED-a12e3a20-1
0.542
EDJ-MED-9f4ac58c-2
0.538
ALP-POS-01611061-3
0.538
ALP-POS-ecbed2ba-15
0.537
VLA-UNK-61877630-3
0.534
VLA-UNK-8e615992-4
0.534
MAT-POS-50a80394-8
0.533
ALP-POS-01611061-1
0.533
LUO-POS-f7b1afe6-2
0.533
EDJ-MED-8bb691af-5
0.533
ALP-POS-ecbed2ba-11
0.532
VLA-UNK-f2612802-1
0.529
PET-UNK-94036022-2
0.521
PET-UNK-94036022-9
0.521
EDJ-MED-4138fde9-7
0.520
EDJ-MED-accc2c4d-3
0.517
VLA-UNK-61877630-7
0.516
VLA-UNK-e334495f-1
0.516
ALP-POS-ecbed2ba-2
0.516
MIC-UNK-c85ea37c-2
0.515
MIC-UNK-eb20c3e1-3
0.512
VLA-UNK-61877630-8
0.512
VLA-UNK-e334495f-2
0.512
VLA-UNK-5d8210f0-5
0.508
MAT-POS-1bed62cf-1
0.500
LUO-POS-868e8996-9
0.500
LUO-POS-868e8996-10
0.500
EDJ-MED-5cd3920d-6
0.500
LUO-POS-eaf50f21-1
0.500
VLA-UNK-61877630-10
0.500
LUO-POS-e1dab717-15
0.500
VLA-UNK-3bd6fc51-1
0.500
ALP-POS-ecbed2ba-13
0.496
MAT-POS-c2d406ed-1
0.496
MIK-ENA-f156d06e-1
0.496
ALP-POS-c3a90b22-8
0.496
EDJ-MED-accc2c4d-1
0.496
EDJ-MED-40e596c8-1
0.496
EDG-MED-b6bce001-1
0.492
EDG-MED-00af8776-1
0.492
EDG-MED-0c930815-1
0.492
MAT-POS-e75f6e44-11
0.492
ALP-POS-ecbed2ba-9
0.492
EDJ-MED-accc2c4d-4
0.492
EDJ-MED-3707c4bc-2
0.492
ALP-POS-ecbed2ba-22
0.488
MIC-UNK-7b6fe9e8-2
0.488
MAT-POS-c2d406ed-2
0.488
LUO-POS-eaf50f21-4
0.484
MAT-POS-c2d406ed-3
0.484
LUO-POS-e1dab717-16
0.484
EDG-MED-b6bce001-2
0.484
PET-UNK-94036022-6
0.484
PET-UNK-94036022-13
0.484
LUO-POS-5857a86a-2
0.484
EDJ-MED-cbbe2dbb-1
0.480
MIC-UNK-7b6fe9e8-1
0.480
ALP-POS-ecbed2ba-3
0.479
PET-UNK-94036022-10
0.479
PET-UNK-94036022-3
0.479
ALP-POS-ecbed2ba-20
0.479
ALP-POS-ecbed2ba-5
0.476
ALP-POS-ecbed2ba-6
0.476
ALP-POS-ecbed2ba-17
0.476
EDJ-MED-5cd3920d-5
0.476
EDJ-MED-8bb691af-2
0.475
LUO-POS-ed2cfb03-2
0.475
EDJ-MED-7587a9ee-3
0.474
LUO-POS-b5068a05-1
0.473
LUO-POS-eaf50f21-2
0.473