Molecular Properties | |
SMILES: | CCN1C(=O)N(c2cncc3ccccc23)C(=O)C12CN(S(=O)(=O)CC1(C#N)CC1)C(=O)c1ccc(Cl)cc12 |
MW: | 563.1 |
Fraction sp3: | 0.3 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 131.75 |
cLogP: | 3.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
Hetero_hetero
MAT-POS-50a80394-2
EDJ-MED-cbbe2dbb-1
0.672
MIC-UNK-7b6fe9e8-1
0.672
EDJ-MED-3af0740c-4
0.664
EDJ-MED-cbbe2dbb-4
0.643
EDJ-MED-dbcb2afb-1
0.627
EDJ-MED-a6bd6de0-1
0.624
EDJ-MED-b0f3342b-1
0.624
EDJ-MED-9f4ac58c-2
0.602
EDJ-MED-3af0740c-8
0.576
MIK-ENA-fe164c2a-1
0.566
EDJ-MED-fed7ac0b-3
0.556
MIC-UNK-7b6fe9e8-2
0.536
MAT-POS-c2d406ed-2
0.536
EDJ-MED-cbbe2dbb-3
0.533
EDJ-MED-24007d8a-1
0.529
EDJ-MED-24007d8a-2
0.524
JOH-MSK-949975c8-1
0.514
EDJ-MED-9f4ac58c-6
0.508
EDJ-MED-9f4ac58c-1
0.504
PET-UNK-fe71d26d-2
0.504
PET-UNK-fe71d26d-4
0.504
LUO-POS-eaf50f21-1
0.500
MAT-POS-c2d406ed-4
0.496
ALP-POS-c3a90b22-8
0.496
PET-UNK-fe71d26d-3
0.489
PET-UNK-fe71d26d-1
0.489
MIC-UNK-eb20c3e1-3
0.488
EDJ-MED-7d88f880-3
0.485
LUO-POS-eaf50f21-4
0.485
EDG-MED-b6bce001-2
0.485
EDJ-MED-9f4ac58c-4
0.477
MAT-POS-1bed62cf-1
0.477
LUO-POS-868e8996-9
0.477
LUO-POS-868e8996-10
0.477
LUO-POS-eaf50f21-5
0.474
LUO-POS-eaf50f21-2
0.474
PET-UNK-143b31ee-1
0.473
PET-UNK-143b31ee-4
0.473
MIK-ENA-f156d06e-1
0.473
MAT-POS-c2d406ed-1
0.473
PET-UNK-94036022-6
0.473
PET-UNK-94036022-13
0.473
LUO-POS-eaf50f21-3
0.471
LUO-POS-b5068a05-2
0.470
PET-UNK-143b31ee-3
0.470
PET-UNK-143b31ee-6
0.470
EDJ-MED-a12e3a20-1
0.469
PET-UNK-aa57768f-2
0.467
PET-UNK-aa57768f-8
0.467
EDJ-MED-9f4ac58c-3
0.467
LUO-POS-b5068a05-1
0.463
MAT-POS-c2d406ed-3
0.462
PET-UNK-143b31ee-2
0.462
PET-UNK-143b31ee-5
0.462
PET-UNK-626a1084-1
0.460
PET-UNK-626a1084-3
0.460
EDJ-MED-3af0740c-5
0.459
JOH-MSK-cef8a2bc-1
0.458
MIK-ENA-5d9157e9-1
0.457
EDJ-MED-8bb691af-6
0.457
MIK-ENA-5d9157e9-2
0.457
ALP-POS-ecbed2ba-4
0.457
MIC-UNK-7b6fe9e8-3
0.455
EDJ-MED-3af0740c-7
0.455
MIK-ENA-99706bb8-1
0.455
MIK-ENA-17e27e9c-1
0.455
MIK-ENA-623fe2a6-1
0.455
MIK-ENA-2c0ad173-1
0.455
EDJ-MED-33064c06-17
0.455
MAT-POS-50a80394-1
0.455
LUO-POS-f7b1afe6-1
0.453
ALP-POS-01611061-2
0.453
MAT-POS-50a80394-8
0.450
ALP-POS-01611061-1
0.450
LUO-POS-f7b1afe6-2
0.450
LUO-POS-5857a86a-2
0.450
EDJ-MED-7e491f08-1
0.446
MIK-ENA-be04d1d4-1
0.444
MIK-ENA-e143773d-1
0.444
MIK-ENA-edcfce18-1
0.444
MIK-ENA-0547b12c-1
0.444
MAT-POS-50a80394-2
0.444
ALP-POS-01611061-3
0.443
MIC-UNK-c85ea37c-2
0.441
PET-UNK-aa57768f-5
0.441
PET-UNK-aa57768f-11
0.441
EDJ-MED-4138fde9-7
0.440
VLA-UNK-61877630-9
0.439
VLA-UNK-e334495f-3
0.439
LUO-POS-5857a86a-1
0.437
ALP-POS-133e7cd9-2
0.436
MIC-UNK-c85ea37c-3
0.436
ALP-POS-c3a90b22-7
0.435
ALP-POS-ecbed2ba-15
0.433
PET-UNK-aa57768f-3
0.432
PET-UNK-aa57768f-9
0.432
EDJ-MED-33064c06-15
0.432
JOH-MSK-4bb3d434-3
0.430
MAT-POS-b3212acf-2
0.430
MIC-UNK-257d841f-1
0.430