Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(C2)CC2(CC2)N(c2cncc4ccccc24)C3=O)CC1 |
MW: | 532.13 |
Fraction sp3: | 0.39 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 94.37 |
cLogP: | 4.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
LUO-POS-e1dab717-16
0.783
ALP-POS-ecbed2ba-4
0.688
EDJ-MED-8bb691af-6
0.688
MIK-ENA-5d9157e9-1
0.688
MIK-ENA-5d9157e9-2
0.688
MAT-POS-1bed62cf-1
0.667
LUO-POS-868e8996-10
0.667
LUO-POS-868e8996-9
0.667
ALP-POS-ecbed2ba-8
0.661
ALP-POS-133e7cd9-2
0.655
ALP-POS-ecbed2ba-15
0.649
PET-UNK-143b31ee-1
0.643
PET-UNK-143b31ee-2
0.643
PET-UNK-143b31ee-4
0.643
PET-UNK-143b31ee-5
0.643
ALP-POS-ecbed2ba-11
0.627
ALP-POS-01611061-2
0.625
LUO-POS-f7b1afe6-1
0.625
ALP-POS-ecbed2ba-2
0.608
LUO-POS-e1dab717-17
0.607
EDJ-MED-4138fde9-7
0.602
ALP-POS-01611061-3
0.595
MIK-ENA-0547b12c-1
0.593
MAT-POS-50a80394-2
0.593
MAT-POS-50a80394-1
0.593
MIC-UNK-eb20c3e1-3
0.593
MIK-ENA-99706bb8-1
0.593
MIK-ENA-17e27e9c-1
0.593
MIK-ENA-623fe2a6-1
0.593
MIK-ENA-2c0ad173-1
0.593
MIK-ENA-be04d1d4-1
0.593
MIK-ENA-e143773d-1
0.593
MIK-ENA-edcfce18-1
0.593
PET-UNK-94036022-2
0.591
PET-UNK-94036022-9
0.591
MIC-UNK-257d841f-2
0.587
EDJ-MED-a12e3a20-1
0.586
EDJ-MED-7e491f08-1
0.586
MAT-POS-b3212acf-1
0.583
MAT-POS-50a80394-3
0.583
LUO-POS-eaf50f21-1
0.580
EDJ-MED-b6c6ee2b-4
0.578
PET-UNK-94036022-4
0.578
PET-UNK-94036022-11
0.578
MIK-ENA-f156d06e-1
0.576
MAT-POS-50a80394-8
0.576
LUO-POS-f7b1afe6-2
0.576
PET-UNK-94036022-6
0.576
MAT-POS-c2d406ed-1
0.576
ALP-POS-01611061-1
0.576
PET-UNK-94036022-13
0.576
LUO-POS-5857a86a-2
0.576
MIC-UNK-257d841f-1
0.575
MAT-POS-b3212acf-2
0.575
EDG-MED-b6bce001-1
0.571
EDG-MED-00af8776-1
0.571
EDG-MED-0c930815-1
0.571
EDJ-MED-8bb691af-2
0.569
MAT-POS-853c0ffa-13
0.567
MIC-UNK-7b6fe9e8-2
0.567
MAT-POS-c2d406ed-2
0.567
EDJ-MED-8bb691af-5
0.563
MAT-POS-c2d406ed-4
0.562
EDG-MED-b6bce001-2
0.562
MAT-POS-c2d406ed-3
0.562
LUO-POS-eaf50f21-4
0.561
LUO-POS-b5068a05-1
0.560
MIC-UNK-c85ea37c-1
0.559
PET-UNK-143b31ee-3
0.557
PET-UNK-143b31ee-6
0.557
LUO-POS-5857a86a-1
0.557
EDJ-MED-cbbe2dbb-1
0.557
MIC-UNK-7b6fe9e8-1
0.557
VLA-UNK-61877630-8
0.554
VLA-UNK-e334495f-2
0.554
ALP-POS-ecbed2ba-22
0.554
MIC-UNK-7b6fe9e8-3
0.553
MIC-UNK-c85ea37c-3
0.551
MAT-POS-1d5ab790-1
0.550
MAT-POS-853c0ffa-5
0.550
LUO-POS-eaf50f21-2
0.548
LUO-POS-eaf50f21-5
0.548
PET-UNK-94036022-10
0.547
EDJ-MED-accc2c4d-3
0.547
ALP-POS-ecbed2ba-3
0.547
PET-UNK-94036022-3
0.547
LUO-POS-b5068a05-2
0.544
MAT-POS-853c0ffa-6
0.542
EDJ-MED-5cd3920d-6
0.542
VLA-UNK-61877630-10
0.542
MAT-POS-853c0ffa-15
0.540
EDJ-MED-accc2c4d-1
0.538
EDJ-MED-5cd3920d-2
0.536
MIK-ENA-60569a44-1
0.536
MIK-ENA-bb7b6957-1
0.536
EDJ-MED-b6c6ee2b-3
0.536
MAT-POS-853c0ffa-11
0.532
LUO-POS-eaf50f21-3
0.531
MAT-POS-38eb6498-2
0.531
ALP-POS-ecbed2ba-6
0.529