Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(C2)C(=O)N(c2cncc4ccccc24)C(=O)N3CC2CCC(=O)NC2)CC1 |
MW: | 632.16 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 143.78 |
cLogP: | 3.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
Hetero_hetero
JOH-MSK-cef8a2bc-1
JOH-MSK-cef8a2bc-1
0.813
EDJ-MED-cbbe2dbb-1
0.754
MIC-UNK-7b6fe9e8-1
0.754
MIC-UNK-7b6fe9e8-2
0.667
MAT-POS-c2d406ed-2
0.667
MAT-POS-c2d406ed-4
0.622
LUO-POS-5857a86a-1
0.592
VLA-UNK-f702bf1c-5
0.583
MAT-POS-1bed62cf-1
0.566
LUO-POS-868e8996-9
0.566
LUO-POS-868e8996-10
0.566
MIC-UNK-eb20c3e1-3
0.565
MIC-UNK-7b6fe9e8-3
0.564
PET-UNK-94036022-6
0.562
PET-UNK-94036022-13
0.562
MIK-ENA-f156d06e-1
0.562
MAT-POS-c2d406ed-1
0.562
MAT-POS-c2d406ed-3
0.561
PET-UNK-143b31ee-2
0.561
PET-UNK-143b31ee-5
0.561
EDG-MED-b6bce001-2
0.549
PET-UNK-143b31ee-1
0.549
PET-UNK-143b31ee-4
0.549
EDJ-MED-a12e3a20-1
0.546
LUO-POS-eaf50f21-1
0.541
LUO-POS-eaf50f21-2
0.537
LUO-POS-eaf50f21-4
0.537
ALP-POS-ecbed2ba-4
0.534
MIK-ENA-5d9157e9-1
0.534
EDJ-MED-8bb691af-6
0.534
MIK-ENA-5d9157e9-2
0.534
JOH-MSK-b735e33c-1
0.533
PET-UNK-143b31ee-3
0.533
PET-UNK-143b31ee-6
0.533
EDJ-MED-3af0740c-8
0.533
LUO-POS-5857a86a-2
0.526
MIC-UNK-257d841f-2
0.526
EDG-MED-00af8776-1
0.522
EDG-MED-0c930815-1
0.522
EDG-MED-b6bce001-1
0.522
MAT-POS-b3212acf-1
0.522
MAT-POS-50a80394-3
0.522
LUO-POS-b5068a05-2
0.522
LUO-POS-eaf50f21-3
0.521
ALP-POS-01611061-2
0.519
LUO-POS-f7b1afe6-1
0.519
MAT-POS-50a80394-1
0.519
ALP-POS-ecbed2ba-15
0.519
MIK-ENA-99706bb8-1
0.519
MIK-ENA-17e27e9c-1
0.519
MIK-ENA-623fe2a6-1
0.519
MIK-ENA-2c0ad173-1
0.519
MAT-POS-b3212acf-2
0.515
MIC-UNK-257d841f-1
0.515
EDJ-MED-cbbe2dbb-2
0.514
LUO-POS-eaf50f21-5
0.514
LUO-POS-b5068a05-1
0.514
EDJ-MED-7e491f08-1
0.511
ALP-POS-133e7cd9-2
0.511
EDJ-MED-8bb691af-2
0.508
ALP-POS-01611061-3
0.507
LUO-POS-e1dab717-15
0.507
MAT-POS-50a80394-2
0.507
MIK-ENA-be04d1d4-1
0.507
MIK-ENA-e143773d-1
0.507
MIK-ENA-edcfce18-1
0.507
MIK-ENA-0547b12c-1
0.507
ALP-POS-ecbed2ba-8
0.504
MAT-POS-50a80394-8
0.504
ALP-POS-01611061-1
0.504
LUO-POS-f7b1afe6-2
0.504
MIC-UNK-c85ea37c-1
0.503
ALP-POS-ecbed2ba-2
0.500
LUO-POS-e1dab717-16
0.493
EDJ-MED-4138fde9-7
0.493
EDJ-MED-8bb691af-5
0.493
PET-UNK-94036022-4
0.493
PET-UNK-94036022-11
0.493
EDJ-MED-24007d8a-1
0.489
ALP-POS-ecbed2ba-11
0.482
VLA-UNK-f702bf1c-4
0.482
EDJ-MED-cbbe2dbb-3
0.481
MAT-POS-2e8b2191-8
0.481
EDJ-MED-7587a9ee-1
0.481
MIC-UNK-c85ea37c-3
0.476
EDJ-MED-3af0740c-7
0.475
VLA-UNK-61877630-7
0.468
JOH-MSK-ccc6e4c0-1
0.468
VLA-UNK-e334495f-1
0.468
EDJ-MED-24007d8a-2
0.464
MIC-UNK-c85ea37c-2
0.461
EDJ-MED-b6c6ee2b-4
0.460
PET-UNK-94036022-2
0.460
PET-UNK-94036022-9
0.460
EDJ-MED-ee81482e-1
0.456
VLA-UNK-e334495f-2
0.454
VLA-UNK-61877630-8
0.454
PET-UNK-6da3dcd8-9
0.453
VLA-UNK-e334495f-4
0.447
PET-UNK-94036022-12
0.445