Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3cc(Cl)c(Cl)cc3C3(C2)NC(=O)N(c2cncc4ccccc24)C3=O)CC1 |
MW: | 555.05 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 123.47 |
cLogP: | 3.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
Hetero_hetero
MAT-POS-c2d406ed-1
0.779
MIK-ENA-f156d06e-1
0.779
MAT-POS-c2d406ed-3
0.635
JOH-MSK-cef8a2bc-1
0.565
LUO-POS-5857a86a-2
0.555
PET-UNK-143b31ee-2
0.554
PET-UNK-143b31ee-5
0.554
LUO-POS-868e8996-9
0.533
MAT-POS-1bed62cf-1
0.533
LUO-POS-868e8996-10
0.533
VLA-UNK-e334495f-2
0.533
VLA-UNK-61877630-8
0.533
PET-UNK-94036022-6
0.529
PET-UNK-94036022-13
0.529
PET-UNK-143b31ee-4
0.528
PET-UNK-143b31ee-1
0.528
MIC-UNK-7b6fe9e8-2
0.520
MIC-UNK-eb20c3e1-3
0.520
MAT-POS-c2d406ed-2
0.520
LUO-POS-eaf50f21-1
0.520
EDG-MED-b6bce001-2
0.516
MAT-POS-c2d406ed-4
0.516
LUO-POS-eaf50f21-2
0.516
ALP-POS-ecbed2ba-4
0.512
EDJ-MED-8bb691af-6
0.512
MIK-ENA-5d9157e9-1
0.512
MIK-ENA-5d9157e9-2
0.512
PET-UNK-143b31ee-3
0.512
EDJ-MED-cbbe2dbb-1
0.512
PET-UNK-143b31ee-6
0.512
MIC-UNK-7b6fe9e8-1
0.512
ALP-POS-01611061-2
0.508
LUO-POS-f7b1afe6-1
0.508
LUO-POS-eaf50f21-4
0.504
LUO-POS-eaf50f21-5
0.504
VLA-UNK-61877630-7
0.500
VLA-UNK-e334495f-1
0.500
EDJ-MED-7e491f08-1
0.500
LUO-POS-b5068a05-2
0.500
ALP-POS-01611061-3
0.496
LUO-POS-b5068a05-1
0.492
MAT-POS-50a80394-8
0.492
LUO-POS-f7b1afe6-2
0.492
ALP-POS-01611061-1
0.492
LUO-POS-eaf50f21-3
0.489
LUO-POS-5857a86a-1
0.488
EDG-MED-00af8776-1
0.488
EDG-MED-0c930815-1
0.488
EDG-MED-b6bce001-1
0.488
ALP-POS-133e7cd9-2
0.488
EDJ-MED-a12e3a20-1
0.488
VLA-MRT-8c78ee15-4
0.487
VLA-MRT-a639d434-2
0.487
MIC-UNK-7b6fe9e8-3
0.484
EDJ-MED-8bb691af-2
0.484
ALP-POS-ecbed2ba-8
0.480
MAT-POS-50a80394-3
0.477
MAT-POS-b3212acf-1
0.477
VLA-MRT-a639d434-1
0.475
VLA-MRT-8c78ee15-3
0.475
MAT-POS-ddfe83c6-4
0.475
MIK-ENA-0547b12c-1
0.472
LUO-POS-e1dab717-15
0.472
MAT-POS-50a80394-1
0.472
ALP-POS-ecbed2ba-15
0.472
MAT-POS-50a80394-2
0.472
MIK-ENA-99706bb8-1
0.472
MIK-ENA-17e27e9c-1
0.472
MIK-ENA-623fe2a6-1
0.472
MIK-ENA-2c0ad173-1
0.472
MIK-ENA-be04d1d4-1
0.472
MIK-ENA-e143773d-1
0.472
MIK-ENA-edcfce18-1
0.472
VLA-UNK-56836b69-2
0.469
VLA-UNK-56836b69-5
0.469
MIC-UNK-257d841f-1
0.469
MAT-POS-b3212acf-2
0.469
LUO-POS-e1dab717-16
0.469
EDJ-MED-8bb691af-5
0.468
JOH-MSK-949975c8-1
0.468
ALP-POS-ecbed2ba-2
0.466
MIC-UNK-257d841f-2
0.458
ALP-POS-ecbed2ba-11
0.458
PET-UNK-94036022-4
0.456
PET-UNK-94036022-11
0.456
MIC-UNK-c85ea37c-1
0.449
EDJ-MED-4138fde9-7
0.446
MIC-UNK-c85ea37c-3
0.441
VLA-UNK-3a43cd95-1
0.441
VLA-UNK-3a43cd95-2
0.436
JOH-MSK-4bb3d434-3
0.435
MAT-POS-89bd6af1-1
0.433
ALP-POS-c56c1477-4
0.433
EDJ-MED-b6c6ee2b-4
0.433
PET-UNK-94036022-2
0.433
PET-UNK-94036022-9
0.433
VLA-MRT-a639d434-3
0.427
VLA-MRT-8c78ee15-1
0.427
VLA-MRT-8c78ee15-2
0.427
MIC-UNK-c85ea37c-2
0.427