Molecular Properties | |
SMILES: | CN(C)C1=NC2(CN(S(=O)(=O)CC3(C#N)CC3)Cc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 548.14 |
Fraction sp3: | 0.33 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 109.97 |
cLogP: | 3.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-c2d406ed-3
EDG-MED-b6bce001-2
0.804
LUO-POS-eaf50f21-1
0.761
LUO-POS-b5068a05-1
0.761
LUO-POS-eaf50f21-2
0.750
LUO-POS-eaf50f21-5
0.730
LUO-POS-b5068a05-2
0.728
LUO-POS-eaf50f21-3
0.724
EDJ-MED-8bb691af-6
0.635
MIK-ENA-5d9157e9-2
0.635
ALP-POS-ecbed2ba-4
0.635
MIK-ENA-5d9157e9-1
0.635
EDG-MED-00af8776-1
0.632
EDG-MED-0c930815-1
0.632
EDG-MED-b6bce001-1
0.632
MIC-UNK-7b6fe9e8-1
0.630
EDJ-MED-cbbe2dbb-1
0.630
MAT-POS-c2d406ed-4
0.622
LUO-POS-868e8996-9
0.615
LUO-POS-868e8996-10
0.615
MAT-POS-1bed62cf-1
0.615
MIC-UNK-eb20c3e1-3
0.613
MIC-UNK-7b6fe9e8-2
0.613
MAT-POS-c2d406ed-2
0.613
ALP-POS-ecbed2ba-8
0.610
MAT-POS-c2d406ed-1
0.610
PET-UNK-94036022-6
0.610
PET-UNK-94036022-13
0.610
MIK-ENA-f156d06e-1
0.610
MAT-POS-c2d406ed-3
0.608
PET-UNK-143b31ee-2
0.608
PET-UNK-143b31ee-1
0.608
PET-UNK-143b31ee-4
0.608
PET-UNK-143b31ee-5
0.608
EDJ-MED-a12e3a20-1
0.607
LUO-POS-f7b1afe6-1
0.603
ALP-POS-01611061-2
0.603
PET-UNK-143b31ee-3
0.603
PET-UNK-143b31ee-6
0.603
ALP-POS-01611061-3
0.602
MAT-POS-50a80394-8
0.597
ALP-POS-01611061-1
0.597
LUO-POS-f7b1afe6-2
0.597
MIC-UNK-c85ea37c-3
0.595
EDJ-MED-7e491f08-1
0.593
ALP-POS-133e7cd9-2
0.592
MIK-ENA-99706bb8-1
0.587
MIK-ENA-17e27e9c-1
0.587
MIK-ENA-623fe2a6-1
0.587
MIK-ENA-2c0ad173-1
0.587
MIK-ENA-be04d1d4-1
0.587
MIK-ENA-e143773d-1
0.587
MIK-ENA-edcfce18-1
0.587
MIK-ENA-0547b12c-1
0.587
MAT-POS-50a80394-1
0.587
MAT-POS-50a80394-2
0.587
ALP-POS-ecbed2ba-15
0.587
MIC-UNK-257d841f-1
0.582
MAT-POS-b3212acf-2
0.582
MAT-POS-b3212acf-1
0.577
MAT-POS-50a80394-3
0.577
EDJ-MED-8bb691af-5
0.570
LUO-POS-e1dab717-16
0.569
EDJ-MED-4138fde9-7
0.569
ALP-POS-ecbed2ba-11
0.568
LUO-POS-5857a86a-1
0.565
ALP-POS-ecbed2ba-2
0.563
EDJ-MED-8bb691af-2
0.563
LUO-POS-e1dab717-15
0.561
MIC-UNK-c85ea37c-2
0.560
LUO-POS-5857a86a-2
0.557
MIC-UNK-257d841f-2
0.556
MIC-UNK-7b6fe9e8-3
0.548
PET-UNK-94036022-9
0.545
PET-UNK-94036022-2
0.545
JOH-MSK-949975c8-1
0.537
EDJ-MED-b6c6ee2b-4
0.533
PET-UNK-94036022-4
0.533
PET-UNK-94036022-11
0.533
MIC-UNK-c85ea37c-1
0.530
VLA-UNK-61877630-8
0.524
ALP-POS-ecbed2ba-22
0.524
VLA-UNK-e334495f-2
0.524
ALP-POS-ecbed2ba-3
0.516
EDJ-MED-accc2c4d-3
0.516
ALP-POS-ecbed2ba-6
0.512
EDJ-MED-accc2c4d-1
0.508
ALP-POS-ecbed2ba-13
0.508
MIK-ENA-bb7b6957-1
0.508
EDJ-MED-5cd3920d-2
0.508
EDJ-MED-b6c6ee2b-3
0.508
MIK-ENA-60569a44-1
0.508
PET-UNK-94036022-3
0.504
PET-UNK-94036022-10
0.504
ALP-POS-c3a90b22-7
0.504
VLA-UNK-61877630-7
0.504
JOH-MSK-ccc6e4c0-1
0.504
VLA-UNK-e334495f-1
0.504
MAT-POS-853c0ffa-11
0.504
MAT-POS-853c0ffa-13
0.500
EDJ-MED-5cd3920d-5
0.500