Molecular Properties | |
SMILES: | CC(C)C1CN(c2cncc3ccccc23)C(=O)C12CN(S(=O)(=O)CC1(C#N)CC1)Cc1ccc(Cl)cc12 |
MW: | 548.16 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 94.37 |
cLogP: | 4.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-50a80394-3
1.000
MAT-POS-50a80394-1
0.776
MIK-ENA-99706bb8-1
0.776
MIK-ENA-17e27e9c-1
0.776
MIK-ENA-623fe2a6-1
0.776
MIK-ENA-2c0ad173-1
0.776
MIK-ENA-0547b12c-1
0.759
MAT-POS-50a80394-2
0.759
MIK-ENA-be04d1d4-1
0.759
MIK-ENA-e143773d-1
0.759
MIK-ENA-edcfce18-1
0.759
MIC-UNK-257d841f-1
0.736
MAT-POS-b3212acf-2
0.736
MIC-UNK-257d841f-2
0.717
MIC-UNK-c85ea37c-3
0.701
MIC-UNK-c85ea37c-1
0.681
MIC-UNK-c85ea37c-2
0.656
EDJ-MED-a12e3a20-1
0.646
ALP-POS-ecbed2ba-4
0.646
EDJ-MED-8bb691af-6
0.646
MIK-ENA-5d9157e9-1
0.646
MIK-ENA-5d9157e9-2
0.646
ALP-POS-01611061-2
0.643
LUO-POS-f7b1afe6-1
0.643
MIC-UNK-eb20c3e1-3
0.638
MAT-POS-50a80394-8
0.635
LUO-POS-f7b1afe6-2
0.635
ALP-POS-01611061-1
0.635
EDJ-MED-7e491f08-1
0.632
ALP-POS-133e7cd9-2
0.629
ALP-POS-01611061-3
0.626
EDJ-MED-8bb691af-5
0.621
MAT-POS-50a80394-6
0.614
ALP-POS-ecbed2ba-8
0.607
ALP-POS-ecbed2ba-15
0.597
ALP-POS-ecbed2ba-11
0.590
MAT-POS-1bed62cf-1
0.585
LUO-POS-868e8996-10
0.585
LUO-POS-868e8996-9
0.585
LUO-POS-eaf50f21-1
0.583
LUO-POS-e1dab717-15
0.583
LUO-POS-e1dab717-16
0.579
EDG-MED-b6bce001-2
0.579
EDJ-MED-4138fde9-7
0.579
LUO-POS-eaf50f21-4
0.577
EDG-MED-00af8776-1
0.575
EDG-MED-0c930815-1
0.575
EDG-MED-b6bce001-1
0.575
VLA-UNK-e334495f-4
0.575
LUO-POS-5857a86a-1
0.574
ALP-POS-ecbed2ba-2
0.573
MIC-UNK-7b6fe9e8-2
0.570
MAT-POS-c2d406ed-2
0.570
MIK-ENA-f156d06e-1
0.567
PET-UNK-94036022-6
0.567
VLA-UNK-e334495f-3
0.567
MAT-POS-c2d406ed-1
0.567
PET-UNK-94036022-13
0.567
VLA-UNK-61877630-9
0.567
LUO-POS-5857a86a-2
0.567
PET-UNK-143b31ee-1
0.566
PET-UNK-143b31ee-2
0.566
PET-UNK-143b31ee-4
0.566
PET-UNK-143b31ee-5
0.566
MAT-POS-c2d406ed-4
0.566
LUO-POS-eaf50f21-2
0.565
LUO-POS-eaf50f21-5
0.563
LUO-POS-b5068a05-1
0.563
EDJ-MED-cbbe2dbb-1
0.561
MIC-UNK-7b6fe9e8-1
0.561
EDJ-MED-8bb691af-2
0.559
MIC-UNK-7b6fe9e8-3
0.556
PET-UNK-94036022-2
0.555
PET-UNK-94036022-9
0.555
MAT-POS-c2d406ed-3
0.553
PET-UNK-143b31ee-3
0.548
PET-UNK-143b31ee-6
0.548
LUO-POS-b5068a05-2
0.548
LUO-POS-eaf50f21-3
0.547
VLA-UNK-61877630-8
0.545
VLA-UNK-e334495f-2
0.545
EDJ-MED-accc2c4d-3
0.538
EDJ-MED-3707c4bc-1
0.538
VLA-UNK-61877630-7
0.537
VLA-UNK-e334495f-1
0.537
EDJ-MED-b6c6ee2b-4
0.529
ALP-POS-ecbed2ba-13
0.528
EDJ-MED-5cd3920d-2
0.528
DAR-DIA-6be260fc-4
0.526
EDJ-MED-3707c4bc-2
0.525
ALP-POS-ecbed2ba-3
0.525
JOH-MSK-949975c8-1
0.522
ALP-POS-ecbed2ba-22
0.520
EDJ-MED-accc2c4d-1
0.516
PET-UNK-94036022-10
0.512
PET-UNK-94036022-3
0.512
ALP-POS-c3a90b22-7
0.512
EDJ-MED-ee81482e-2
0.511
ALP-POS-ecbed2ba-5
0.508
ALP-POS-ecbed2ba-6
0.508