Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CC(=O)N(c4cncc5ccccc45)C3)C2)CC1 |
MW: | 506.12 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 94.37 |
cLogP: | 4.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
VLA-UCB-50c39ae8-2
EDJ-MED-8bb691af-2
0.667
EDJ-MED-a12e3a20-1
0.655
LUO-POS-f7b1afe6-1
0.651
ALP-POS-01611061-2
0.651
EDJ-MED-8bb691af-6
0.640
MIK-ENA-5d9157e9-2
0.640
EDJ-MED-7e491f08-1
0.640
ALP-POS-ecbed2ba-4
0.640
MIK-ENA-5d9157e9-1
0.640
ALP-POS-01611061-3
0.634
MIK-ENA-99706bb8-1
0.632
MIK-ENA-17e27e9c-1
0.632
MIK-ENA-623fe2a6-1
0.632
MIK-ENA-2c0ad173-1
0.632
MAT-POS-50a80394-1
0.632
MAT-POS-50a80394-8
0.628
ALP-POS-01611061-1
0.628
LUO-POS-f7b1afe6-2
0.628
ALP-POS-133e7cd9-2
0.623
MAT-POS-b3212acf-1
0.621
MAT-POS-50a80394-3
0.621
MIK-ENA-be04d1d4-1
0.617
MIK-ENA-e143773d-1
0.617
MIK-ENA-edcfce18-1
0.617
MIK-ENA-0547b12c-1
0.617
MAT-POS-50a80394-2
0.617
MAT-POS-b3212acf-2
0.612
MIC-UNK-257d841f-1
0.612
LUO-POS-868e8996-9
0.605
LUO-POS-868e8996-10
0.605
MAT-POS-1bed62cf-1
0.605
ALP-POS-ecbed2ba-8
0.600
MIC-UNK-257d841f-2
0.597
EDJ-MED-8bb691af-3
0.591
ALP-POS-ecbed2ba-15
0.590
LUO-POS-eaf50f21-1
0.590
MIK-ENA-f156d06e-1
0.586
MAT-POS-c2d406ed-1
0.586
EDG-MED-00af8776-1
0.581
EDG-MED-0c930815-1
0.581
EDG-MED-b6bce001-1
0.581
MIC-UNK-c85ea37c-1
0.581
PET-UNK-143b31ee-3
0.580
PET-UNK-143b31ee-6
0.580
PET-UNK-94036022-6
0.573
PET-UNK-94036022-13
0.573
LUO-POS-5857a86a-2
0.573
MIC-UNK-c85ea37c-3
0.573
MAT-POS-c2d406ed-3
0.571
PET-UNK-143b31ee-1
0.571
PET-UNK-143b31ee-4
0.571
EDG-MED-b6bce001-2
0.571
ALP-POS-ecbed2ba-11
0.570
LUO-POS-eaf50f21-4
0.570
MIC-UNK-7b6fe9e8-1
0.567
LUO-POS-5857a86a-1
0.567
EDJ-MED-cbbe2dbb-1
0.567
ALP-POS-ecbed2ba-2
0.566
LUO-POS-b5068a05-2
0.566
MIC-UNK-7b6fe9e8-2
0.563
MAT-POS-c2d406ed-2
0.563
LUO-POS-e1dab717-15
0.563
MIC-UNK-eb20c3e1-3
0.563
PET-UNK-94036022-9
0.560
PET-UNK-94036022-2
0.560
MAT-POS-c2d406ed-4
0.558
PET-UNK-143b31ee-2
0.558
PET-UNK-143b31ee-5
0.558
LUO-POS-e1dab717-16
0.558
EDJ-MED-4138fde9-7
0.558
LUO-POS-eaf50f21-2
0.557
LUO-POS-b5068a05-1
0.556
MIC-UNK-7b6fe9e8-3
0.549
LUO-POS-eaf50f21-5
0.544
LUO-POS-eaf50f21-3
0.540
MIC-UNK-c85ea37c-2
0.538
VLA-UNK-61877630-8
0.537
VLA-UNK-e334495f-2
0.537
EDJ-MED-b6c6ee2b-4
0.534
VLA-UNK-61877630-9
0.533
VLA-UNK-e334495f-3
0.533
ALP-POS-c3a90b22-7
0.529
VLA-UNK-61877630-7
0.529
VLA-UNK-e334495f-1
0.529
VLA-UNK-e334495f-4
0.529
PET-UNK-94036022-4
0.521
PET-UNK-94036022-11
0.521
EDJ-MED-accc2c4d-1
0.521
EDJ-MED-accc2c4d-3
0.517
ALP-POS-ecbed2ba-22
0.512
PET-UNK-6da3dcd8-10
0.508
ALP-POS-ecbed2ba-3
0.504
PET-UNK-94036022-3
0.504
PET-UNK-94036022-10
0.504
MAT-POS-853c0ffa-13
0.500
MAT-POS-853c0ffa-15
0.500
EDJ-MED-5cd3920d-5
0.500
PET-UNK-6da3dcd8-9
0.500
MIK-ENA-bb7b6957-1
0.496
EDJ-MED-b6c6ee2b-3
0.496