Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(C2)C(=O)N(c2cncc4ccccc24)CC3CC2CCCCC2)CC1 |
MW: | 602.21 |
Fraction sp3: | 0.48 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 94.37 |
cLogP: | 6.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MIC-UNK-257d841f-2
0.924
MAT-POS-50a80394-2
0.784
MIK-ENA-be04d1d4-1
0.784
MIK-ENA-e143773d-1
0.784
MIK-ENA-edcfce18-1
0.784
MIK-ENA-0547b12c-1
0.784
MAT-POS-b3212acf-2
0.701
MIC-UNK-257d841f-1
0.701
MIK-ENA-99706bb8-1
0.692
MIK-ENA-17e27e9c-1
0.692
MIK-ENA-623fe2a6-1
0.692
MIK-ENA-2c0ad173-1
0.692
MAT-POS-50a80394-1
0.692
MAT-POS-b3212acf-1
0.681
MAT-POS-50a80394-3
0.681
MIC-UNK-c85ea37c-3
0.643
MIC-UNK-c85ea37c-2
0.617
EDJ-MED-a12e3a20-1
0.603
EDJ-MED-8bb691af-6
0.603
ALP-POS-ecbed2ba-4
0.603
MIK-ENA-5d9157e9-1
0.603
MIK-ENA-5d9157e9-2
0.603
ALP-POS-133e7cd9-2
0.602
ALP-POS-01611061-2
0.600
LUO-POS-f7b1afe6-1
0.600
ALP-POS-01611061-3
0.598
EDJ-MED-7e491f08-1
0.590
MIC-UNK-eb20c3e1-3
0.584
LUO-POS-f7b1afe6-2
0.581
MAT-POS-50a80394-8
0.581
EDJ-MED-8bb691af-5
0.581
ALP-POS-01611061-1
0.581
ALP-POS-ecbed2ba-8
0.581
ALP-POS-ecbed2ba-15
0.571
ALP-POS-ecbed2ba-11
0.566
LUO-POS-868e8996-10
0.560
MAT-POS-1bed62cf-1
0.560
LUO-POS-868e8996-9
0.560
LUO-POS-e1dab717-15
0.559
PET-UNK-94036022-6
0.556
LUO-POS-5857a86a-2
0.556
PET-UNK-94036022-13
0.556
ALP-POS-ecbed2ba-2
0.550
LUO-POS-eaf50f21-1
0.547
VLA-UNK-e334495f-3
0.543
VLA-UNK-61877630-9
0.543
MIK-ENA-f156d06e-1
0.543
MAT-POS-c2d406ed-1
0.543
PET-UNK-143b31ee-1
0.543
PET-UNK-143b31ee-2
0.543
PET-UNK-143b31ee-5
0.543
PET-UNK-143b31ee-4
0.543
EDG-MED-00af8776-1
0.539
EDG-MED-0c930815-1
0.539
EDG-MED-b6bce001-1
0.539
EDJ-MED-8bb691af-2
0.536
LUO-POS-e1dab717-16
0.531
EDJ-MED-4138fde9-7
0.531
EDG-MED-b6bce001-2
0.531
MAT-POS-c2d406ed-3
0.531
LUO-POS-eaf50f21-4
0.530
VLA-UNK-e334495f-4
0.527
PET-UNK-143b31ee-6
0.527
LUO-POS-5857a86a-1
0.527
EDJ-MED-cbbe2dbb-1
0.527
MIC-UNK-7b6fe9e8-1
0.527
PET-UNK-143b31ee-3
0.527
MIC-UNK-7b6fe9e8-2
0.523
MAT-POS-c2d406ed-2
0.523
MIC-UNK-7b6fe9e8-3
0.523
PET-UNK-94036022-9
0.520
PET-UNK-94036022-2
0.520
MAT-POS-c2d406ed-4
0.519
LUO-POS-eaf50f21-2
0.519
LUO-POS-b5068a05-1
0.519
LUO-POS-b5068a05-2
0.515
LUO-POS-eaf50f21-5
0.507
EDJ-MED-accc2c4d-3
0.504
ALP-POS-c3a90b22-7
0.504
LUO-POS-eaf50f21-3
0.504
JOH-MSK-949975c8-1
0.503
VLA-UNK-61877630-8
0.500
VLA-UNK-e334495f-2
0.500
EDJ-MED-b6c6ee2b-4
0.496
VLA-UNK-e334495f-1
0.492
VLA-UNK-61877630-7
0.492
ALP-POS-ecbed2ba-22
0.489
ALP-POS-ecbed2ba-5
0.489
PET-UNK-94036022-4
0.485
PET-UNK-94036022-11
0.485
EDJ-MED-accc2c4d-1
0.485
PET-UNK-94036022-3
0.481
PET-UNK-94036022-10
0.481
ALP-POS-ecbed2ba-3
0.481
MAT-POS-50a80394-5
0.480
MAT-POS-853c0ffa-13
0.478
VLA-UNK-61877630-10
0.477
PET-UNK-6da3dcd8-9
0.477
EDJ-MED-5cd3920d-6
0.477
ALP-POS-ecbed2ba-1
0.474