Molecular Properties | |
SMILES: | CCN1C2(CN(S(=O)(=O)CC3(C#N)CC3)Cc3ccc(Cl)cc32)C(=O)N(c2cncc3ccccc23)S1(=O)=O |
MW: | 585.09 |
Fraction sp3: | 0.35 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 131.75 |
cLogP: | 3.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
LUO-POS-5857a86a-1
0.771
EDJ-MED-cbbe2dbb-1
0.664
MIC-UNK-7b6fe9e8-1
0.664
LUO-POS-5857a86a-2
0.658
MIC-UNK-7b6fe9e8-2
0.647
MAT-POS-c2d406ed-2
0.647
MAT-POS-c2d406ed-4
0.641
MIC-UNK-eb20c3e1-3
0.605
MAT-POS-c2d406ed-1
0.588
MIK-ENA-f156d06e-1
0.588
ALP-POS-ecbed2ba-4
0.585
EDJ-MED-8bb691af-6
0.585
MIK-ENA-5d9157e9-1
0.585
MIK-ENA-5d9157e9-2
0.585
LUO-POS-f7b1afe6-1
0.581
ALP-POS-01611061-2
0.581
LUO-POS-868e8996-10
0.580
MAT-POS-1bed62cf-1
0.580
LUO-POS-868e8996-9
0.580
MAT-POS-50a80394-2
0.579
MIK-ENA-be04d1d4-1
0.579
MIK-ENA-e143773d-1
0.579
MIK-ENA-edcfce18-1
0.579
MIK-ENA-0547b12c-1
0.579
MAT-POS-50a80394-8
0.575
PET-UNK-94036022-13
0.575
LUO-POS-f7b1afe6-2
0.575
ALP-POS-01611061-1
0.575
PET-UNK-94036022-6
0.575
PET-UNK-143b31ee-1
0.574
EDG-MED-b6bce001-2
0.574
MAT-POS-c2d406ed-3
0.574
PET-UNK-143b31ee-4
0.574
EDJ-MED-7e491f08-1
0.571
EDJ-MED-a12e3a20-1
0.571
LUO-POS-eaf50f21-5
0.571
EDG-MED-b6bce001-1
0.570
ALP-POS-133e7cd9-2
0.570
EDG-MED-00af8776-1
0.570
EDG-MED-0c930815-1
0.570
ALP-POS-01611061-3
0.567
ALP-POS-ecbed2ba-15
0.566
MAT-POS-50a80394-1
0.566
MIK-ENA-99706bb8-1
0.566
MIK-ENA-17e27e9c-1
0.566
MIK-ENA-623fe2a6-1
0.566
MIK-ENA-2c0ad173-1
0.566
JOH-MSK-949975c8-1
0.564
MAT-POS-b3212acf-2
0.561
LUO-POS-e1dab717-16
0.561
MIC-UNK-257d841f-1
0.561
LUO-POS-eaf50f21-2
0.560
PET-UNK-143b31ee-6
0.556
MAT-POS-b3212acf-1
0.556
MAT-POS-50a80394-3
0.556
PET-UNK-143b31ee-3
0.556
ALP-POS-ecbed2ba-2
0.556
EDJ-MED-8bb691af-2
0.555
LUO-POS-eaf50f21-1
0.553
LUO-POS-e1dab717-15
0.553
EDJ-MED-8bb691af-5
0.549
ALP-POS-ecbed2ba-8
0.549
PET-UNK-143b31ee-2
0.548
PET-UNK-143b31ee-5
0.548
LUO-POS-eaf50f21-4
0.548
LUO-POS-b5068a05-1
0.547
LUO-POS-b5068a05-2
0.543
LUO-POS-eaf50f21-3
0.543
MIC-UNK-c85ea37c-3
0.538
EDJ-MED-4138fde9-7
0.536
MIC-UNK-257d841f-2
0.535
ALP-POS-ecbed2ba-11
0.523
MIC-UNK-c85ea37c-1
0.523
MIC-UNK-c85ea37c-2
0.507
MAT-POS-ddfe83c6-2
0.500
PET-UNK-94036022-2
0.500
PET-UNK-94036022-9
0.500
PET-UNK-94036022-11
0.500
PET-UNK-94036022-4
0.500
VLA-UNK-61877630-8
0.492
VLA-UNK-e334495f-2
0.492
ALP-POS-ecbed2ba-1
0.488
PET-UNK-6da3dcd8-8
0.488
MAT-POS-89bd6af1-2
0.488
MAT-POS-853c0ffa-5
0.488
EDJ-MED-b1cef252-2
0.488
MAT-POS-83a7b0a0-2
0.488
MAT-POS-1d5ab790-1
0.488
MAT-POS-89bd6af1-1
0.488
ALP-POS-c56c1477-4
0.488
EDJ-MED-b6c6ee2b-4
0.488
VLA-UNK-61877630-7
0.484
JOH-MSK-ccc6e4c0-1
0.484
VLA-UNK-e334495f-1
0.484
ALP-POS-ecbed2ba-3
0.484
PET-UNK-6da3dcd8-9
0.480
MIK-ENA-bb7b6957-1
0.477
EDJ-MED-5cd3920d-2
0.477
EDJ-MED-b6c6ee2b-3
0.477
MIK-ENA-60569a44-1
0.477