Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@@]3(C2)C(=O)N(c2cncc4ccccc24)CC3(F)F)CC1 |
MW: | 542.1 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 94.37 |
cLogP: | 4.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Beta halo carbonyl
Hetero_hetero
LUO-POS-f7b1afe6-1
0.798
ALP-POS-01611061-2
0.798
ALP-POS-01611061-3
0.775
MAT-POS-50a80394-8
0.767
ALP-POS-01611061-1
0.767
LUO-POS-f7b1afe6-2
0.767
MIK-ENA-5d9157e9-1
0.667
EDJ-MED-8bb691af-6
0.667
MIK-ENA-5d9157e9-2
0.667
EDJ-MED-a12e3a20-1
0.667
ALP-POS-ecbed2ba-4
0.667
MAT-POS-b3212acf-2
0.652
MIC-UNK-257d841f-1
0.652
ALP-POS-133e7cd9-2
0.649
MIK-ENA-99706bb8-1
0.643
MIK-ENA-17e27e9c-1
0.643
MIK-ENA-623fe2a6-1
0.643
MIK-ENA-2c0ad173-1
0.643
MIK-ENA-be04d1d4-1
0.643
MIK-ENA-e143773d-1
0.643
MIK-ENA-edcfce18-1
0.643
MIK-ENA-0547b12c-1
0.643
MAT-POS-50a80394-1
0.643
MAT-POS-50a80394-2
0.643
EDJ-MED-8bb691af-5
0.640
MAT-POS-b3212acf-1
0.632
MAT-POS-50a80394-3
0.632
ALP-POS-ecbed2ba-8
0.625
MIC-UNK-257d841f-2
0.621
ALP-POS-ecbed2ba-15
0.614
LUO-POS-eaf50f21-1
0.614
MIK-ENA-f156d06e-1
0.611
MAT-POS-c2d406ed-1
0.611
LUO-POS-5857a86a-2
0.611
MIC-UNK-c85ea37c-3
0.608
EDG-MED-00af8776-1
0.605
EDG-MED-0c930815-1
0.605
EDG-MED-b6bce001-1
0.605
MAT-POS-1bed62cf-1
0.602
LUO-POS-868e8996-9
0.602
LUO-POS-868e8996-10
0.602
ALP-POS-ecbed2ba-2
0.602
PET-UNK-94036022-6
0.596
PET-UNK-94036022-13
0.596
MAT-POS-c2d406ed-3
0.595
EDG-MED-b6bce001-2
0.595
ALP-POS-ecbed2ba-11
0.593
LUO-POS-eaf50f21-4
0.593
MIC-UNK-c85ea37c-1
0.590
PET-UNK-143b31ee-3
0.590
PET-UNK-143b31ee-6
0.590
EDJ-MED-8bb691af-2
0.589
MIC-UNK-eb20c3e1-3
0.586
MIC-UNK-7b6fe9e8-2
0.586
MAT-POS-c2d406ed-2
0.586
VLA-UNK-61877630-8
0.586
LUO-POS-e1dab717-15
0.586
VLA-UNK-e334495f-2
0.586
MAT-POS-c2d406ed-4
0.581
PET-UNK-143b31ee-2
0.581
PET-UNK-143b31ee-1
0.581
PET-UNK-143b31ee-4
0.581
PET-UNK-143b31ee-5
0.581
LUO-POS-e1dab717-16
0.581
EDJ-MED-4138fde9-7
0.581
LUO-POS-eaf50f21-2
0.580
LUO-POS-b5068a05-1
0.579
EDJ-MED-cbbe2dbb-1
0.576
MIC-UNK-7b6fe9e8-1
0.576
LUO-POS-5857a86a-1
0.576
LUO-POS-b5068a05-2
0.575
MIC-UNK-7b6fe9e8-3
0.571
MIC-UNK-c85ea37c-2
0.570
PET-UNK-94036022-9
0.570
PET-UNK-94036022-2
0.570
LUO-POS-eaf50f21-5
0.566
VLA-UNK-61877630-7
0.564
VLA-UNK-e334495f-1
0.564
LUO-POS-eaf50f21-3
0.561
EDJ-MED-b6c6ee2b-4
0.557
VLA-UNK-61877630-9
0.556
VLA-UNK-e334495f-3
0.556
VLA-UNK-e334495f-4
0.551
ALP-POS-ecbed2ba-22
0.546
EDJ-MED-accc2c4d-3
0.539
ALP-POS-c3a90b22-7
0.538
MAT-POS-853c0ffa-13
0.533
PET-UNK-6da3dcd8-10
0.530
EDJ-MED-accc2c4d-1
0.530
EDJ-MED-5cd3920d-1
0.528
ALP-POS-ecbed2ba-3
0.526
PET-UNK-94036022-3
0.526
PET-UNK-94036022-10
0.526
VLA-UNK-61877630-10
0.521
EDJ-MED-9f4ac58c-2
0.521
EDJ-MED-5cd3920d-5
0.521
EDJ-MED-5cd3920d-6
0.521
PET-UNK-94036022-4
0.517
PET-UNK-94036022-11
0.517
ALP-POS-ecbed2ba-13
0.517