Molecular Properties | |
SMILES: | CCN1C(=O)N(c2cncc3ccccc23)C(=O)C12CN(S(=O)(=O)CC1(C#N)CC1)Cc1ccc(Cl)cc12 |
MW: | 549.12 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 114.68 |
cLogP: | 4.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
Hetero_hetero
MAT-POS-50a80394-2
MIC-UNK-7b6fe9e8-1
1.000
MAT-POS-c2d406ed-2
0.776
MIC-UNK-7b6fe9e8-2
0.776
JOH-MSK-949975c8-1
0.754
MAT-POS-c2d406ed-4
0.721
EDJ-MED-3af0740c-8
0.681
EDJ-MED-cbbe2dbb-2
0.672
MIC-UNK-7b6fe9e8-3
0.664
LUO-POS-5857a86a-1
0.655
MIC-UNK-eb20c3e1-3
0.652
EDJ-MED-24007d8a-1
0.634
EDG-MED-b6bce001-2
0.632
LUO-POS-eaf50f21-4
0.630
MAT-POS-1bed62cf-1
0.626
LUO-POS-868e8996-10
0.626
LUO-POS-868e8996-9
0.626
LUO-POS-eaf50f21-1
0.624
EDJ-MED-cbbe2dbb-3
0.623
PET-UNK-94036022-6
0.621
PET-UNK-94036022-13
0.621
MIK-ENA-f156d06e-1
0.621
MAT-POS-c2d406ed-1
0.621
PET-UNK-143b31ee-1
0.619
PET-UNK-143b31ee-4
0.619
LUO-POS-eaf50f21-2
0.617
LUO-POS-eaf50f21-5
0.615
EDJ-MED-24007d8a-2
0.612
MAT-POS-c2d406ed-3
0.605
PET-UNK-143b31ee-2
0.605
PET-UNK-143b31ee-5
0.605
MIK-ENA-5d9157e9-2
0.603
EDJ-MED-a12e3a20-1
0.603
MIK-ENA-5d9157e9-1
0.603
ALP-POS-ecbed2ba-4
0.603
EDJ-MED-8bb691af-6
0.603
LUO-POS-b5068a05-1
0.602
PET-UNK-143b31ee-3
0.600
PET-UNK-143b31ee-6
0.600
JOH-MSK-cef8a2bc-1
0.600
LUO-POS-b5068a05-2
0.598
LUO-POS-eaf50f21-3
0.597
MIK-ENA-99706bb8-1
0.597
MIK-ENA-17e27e9c-1
0.597
MIK-ENA-623fe2a6-1
0.597
MIK-ENA-2c0ad173-1
0.597
MAT-POS-50a80394-1
0.597
LUO-POS-5857a86a-2
0.593
LUO-POS-f7b1afe6-1
0.586
ALP-POS-01611061-2
0.586
ALP-POS-ecbed2ba-15
0.583
MAT-POS-50a80394-2
0.583
MIK-ENA-be04d1d4-1
0.583
MIK-ENA-e143773d-1
0.583
MIK-ENA-edcfce18-1
0.583
MIK-ENA-0547b12c-1
0.583
ALP-POS-01611061-1
0.580
MAT-POS-50a80394-8
0.580
LUO-POS-f7b1afe6-2
0.580
EDJ-MED-7e491f08-1
0.576
EDG-MED-b6bce001-1
0.575
EDG-MED-00af8776-1
0.575
EDG-MED-0c930815-1
0.575
ALP-POS-133e7cd9-2
0.575
ALP-POS-01611061-3
0.571
ALP-POS-ecbed2ba-8
0.567
EDJ-MED-8bb691af-5
0.567
EDJ-MED-4138fde9-7
0.566
LUO-POS-e1dab717-16
0.566
MAT-POS-b3212acf-2
0.566
MIC-UNK-257d841f-1
0.566
MAT-POS-50a80394-3
0.561
MAT-POS-b3212acf-1
0.561
EDJ-MED-8bb691af-2
0.559
EDJ-MED-7587a9ee-1
0.558
MAT-POS-2e8b2191-8
0.558
LUO-POS-e1dab717-15
0.557
MIC-UNK-c85ea37c-3
0.555
MIC-UNK-257d841f-2
0.552
ALP-POS-ecbed2ba-2
0.548
EDJ-MED-3af0740c-4
0.546
PET-UNK-94036022-4
0.542
PET-UNK-94036022-11
0.542
ALP-POS-ecbed2ba-11
0.540
MIC-UNK-c85ea37c-2
0.533
EDJ-MED-cbbe2dbb-4
0.533
EDJ-MED-3af0740c-7
0.532
MIC-UNK-c85ea37c-1
0.527
EDJ-MED-b6c6ee2b-4
0.516
PET-UNK-94036022-9
0.516
PET-UNK-94036022-2
0.516
JOH-MSK-ccc6e4c0-1
0.512
VLA-UNK-61877630-8
0.508
EDJ-MED-dbcb2afb-1
0.508
VLA-UNK-e334495f-2
0.508
EDJ-MED-a6bd6de0-1
0.504
EDJ-MED-b0f3342b-1
0.504
ALP-POS-ecbed2ba-3
0.500
VLA-UNK-e334495f-1
0.500
VLA-UNK-61877630-7
0.500
MAT-POS-853c0ffa-5
0.492