Molecular Properties | |
SMILES: | CCC(=O)Nc1ccc(C2CN(c3cncc4ccccc34)C(=O)C23CN(S(=O)(=O)CC2(C#N)CC2)Cc2ccc(Cl)cc23)cc1 |
MW: | 653.19 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 123.47 |
cLogP: | 5.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MIC-UNK-c85ea37c-3
0.783
MIK-ENA-be04d1d4-1
0.708
MIK-ENA-e143773d-1
0.708
MIK-ENA-edcfce18-1
0.708
MIK-ENA-0547b12c-1
0.708
MAT-POS-50a80394-2
0.708
MAT-POS-b3212acf-2
0.675
MIC-UNK-257d841f-1
0.675
MIK-ENA-99706bb8-1
0.667
MIK-ENA-17e27e9c-1
0.667
MIK-ENA-623fe2a6-1
0.667
MIK-ENA-2c0ad173-1
0.667
MAT-POS-50a80394-1
0.667
MAT-POS-b3212acf-1
0.656
MAT-POS-50a80394-3
0.656
MIC-UNK-257d841f-2
0.633
MIC-UNK-c85ea37c-1
0.617
EDJ-MED-a12e3a20-1
0.583
LUO-POS-eaf50f21-3
0.578
MIC-UNK-eb20c3e1-3
0.577
MIK-ENA-5d9157e9-1
0.570
EDJ-MED-8bb691af-6
0.570
MIK-ENA-5d9157e9-2
0.570
EDJ-MED-7e491f08-1
0.570
ALP-POS-ecbed2ba-4
0.570
LUO-POS-f7b1afe6-1
0.567
ALP-POS-01611061-2
0.567
MAT-POS-50a80394-8
0.562
ALP-POS-01611061-1
0.562
LUO-POS-f7b1afe6-2
0.562
LUO-POS-eaf50f21-2
0.560
LUO-POS-eaf50f21-4
0.560
ALP-POS-133e7cd9-2
0.557
ALP-POS-01611061-3
0.554
LUO-POS-eaf50f21-1
0.553
EDG-MED-b6bce001-2
0.549
LUO-POS-b5068a05-1
0.547
LUO-POS-eaf50f21-5
0.547
ALP-POS-ecbed2ba-15
0.541
EDJ-MED-8bb691af-5
0.538
ALP-POS-ecbed2ba-8
0.538
EDG-MED-00af8776-1
0.534
EDG-MED-0c930815-1
0.534
EDG-MED-b6bce001-1
0.534
EDJ-MED-cbbe2dbb-1
0.533
MIC-UNK-7b6fe9e8-1
0.533
LUO-POS-b5068a05-2
0.533
ALP-POS-ecbed2ba-11
0.526
ALP-POS-ecbed2ba-2
0.522
MIK-ENA-f156d06e-1
0.515
MAT-POS-c2d406ed-1
0.515
VLA-UNK-61877630-9
0.515
LUO-POS-5857a86a-2
0.515
VLA-UNK-e334495f-3
0.515
EDJ-MED-4138fde9-7
0.515
VLA-UNK-e334495f-4
0.511
PET-UNK-143b31ee-3
0.511
PET-UNK-143b31ee-6
0.511
LUO-POS-5857a86a-1
0.511
MAT-POS-1bed62cf-1
0.507
LUO-POS-868e8996-9
0.507
LUO-POS-868e8996-10
0.507
MIC-UNK-7b6fe9e8-2
0.507
MAT-POS-c2d406ed-2
0.507
LUO-POS-e1dab717-15
0.507
MIC-UNK-7b6fe9e8-3
0.507
PET-UNK-94036022-9
0.504
PET-UNK-94036022-2
0.504
PET-UNK-94036022-6
0.504
PET-UNK-94036022-13
0.504
MAT-POS-c2d406ed-4
0.504
MAT-POS-c2d406ed-3
0.504
PET-UNK-143b31ee-2
0.504
PET-UNK-143b31ee-5
0.504
LUO-POS-e1dab717-16
0.504
EDJ-MED-8bb691af-2
0.496
PET-UNK-143b31ee-1
0.493
PET-UNK-143b31ee-4
0.493
MAT-POS-38eb6498-2
0.490
EDJ-MED-accc2c4d-3
0.489
VLA-UNK-61877630-8
0.486
VLA-UNK-e334495f-2
0.486
PET-UNK-6da3dcd8-9
0.485
ALP-POS-c56c1477-4
0.481
MAT-POS-89bd6af1-1
0.481
VLA-UNK-61877630-7
0.478
VLA-UNK-e334495f-1
0.478
MAT-POS-50a80394-5
0.477
ALP-POS-ecbed2ba-22
0.475
EDJ-MED-b1cef252-2
0.471
PET-UNK-6da3dcd8-8
0.471
MAT-POS-83a7b0a0-2
0.471
MAT-POS-89bd6af1-2
0.471
PET-UNK-6da3dcd8-10
0.471
EDJ-MED-b6c6ee2b-4
0.471
MAT-POS-853c0ffa-11
0.469
ALP-POS-c3a90b22-7
0.467
ALP-POS-ecbed2ba-3
0.467
EDJ-MED-3707c4bc-1
0.467
ALP-POS-ecbed2ba-6
0.464