Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3)C2)CC1 |
MW: | 492.14 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 77.3 |
cLogP: | 4.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
VLA-UCB-50c39ae8-2
EDJ-MED-8bb691af-5
0.667
EDJ-MED-a12e3a20-1
0.604
EDJ-MED-8bb691af-1
0.600
LUO-POS-f7b1afe6-1
0.600
ALP-POS-01611061-2
0.600
PET-UNK-94036022-6
0.593
MAT-POS-c2d406ed-1
0.593
MIK-ENA-f156d06e-1
0.593
ALP-POS-01611061-1
0.593
MAT-POS-50a80394-8
0.593
LUO-POS-f7b1afe6-2
0.593
PET-UNK-94036022-13
0.593
EDJ-MED-8bb691af-6
0.589
ALP-POS-ecbed2ba-4
0.589
MIK-ENA-5d9157e9-1
0.589
MIK-ENA-5d9157e9-2
0.589
EDJ-MED-7e491f08-1
0.589
EDG-MED-00af8776-1
0.588
EDG-MED-0c930815-1
0.588
EDG-MED-b6bce001-1
0.588
ALP-POS-01611061-3
0.584
MAT-POS-1bed62cf-1
0.584
LUO-POS-868e8996-9
0.584
LUO-POS-868e8996-10
0.584
MIC-UNK-7b6fe9e8-2
0.583
MAT-POS-c2d406ed-2
0.583
LUO-POS-5857a86a-2
0.579
EDG-MED-b6bce001-2
0.578
MAT-POS-c2d406ed-3
0.578
MAT-POS-c2d406ed-4
0.578
ALP-POS-133e7cd9-2
0.574
PET-UNK-143b31ee-3
0.573
PET-UNK-143b31ee-6
0.573
MIC-UNK-eb20c3e1-3
0.569
MIK-ENA-99706bb8-1
0.569
MIK-ENA-17e27e9c-1
0.569
MIK-ENA-623fe2a6-1
0.569
MIK-ENA-2c0ad173-1
0.569
MIK-ENA-be04d1d4-1
0.569
MIK-ENA-e143773d-1
0.569
MIK-ENA-edcfce18-1
0.569
MIK-ENA-0547b12c-1
0.569
MAT-POS-50a80394-2
0.569
LUO-POS-eaf50f21-1
0.569
MAT-POS-50a80394-1
0.569
LUO-POS-e1dab717-15
0.569
MAT-POS-b3212acf-2
0.564
MIC-UNK-257d841f-1
0.564
PET-UNK-143b31ee-1
0.564
PET-UNK-143b31ee-2
0.564
PET-UNK-143b31ee-4
0.564
PET-UNK-143b31ee-5
0.564
LUO-POS-e1dab717-16
0.564
LUO-POS-eaf50f21-2
0.563
LUO-POS-eaf50f21-4
0.563
EDJ-MED-cbbe2dbb-1
0.559
MIC-UNK-7b6fe9e8-1
0.559
MAT-POS-50a80394-3
0.559
MAT-POS-b3212acf-1
0.559
LUO-POS-5857a86a-1
0.559
MIC-UNK-7b6fe9e8-3
0.555
ALP-POS-ecbed2ba-8
0.552
MIC-UNK-257d841f-2
0.550
LUO-POS-b5068a05-2
0.545
ALP-POS-ecbed2ba-15
0.542
LUO-POS-eaf50f21-5
0.537
LUO-POS-b5068a05-1
0.537
MIC-UNK-c85ea37c-1
0.536
ALP-POS-ecbed2ba-2
0.533
LUO-POS-eaf50f21-3
0.532
MIC-UNK-c85ea37c-3
0.528
ALP-POS-ecbed2ba-11
0.525
PET-UNK-6da3dcd8-9
0.517
MAT-POS-89bd6af1-1
0.513
ALP-POS-c56c1477-4
0.513
PET-UNK-6da3dcd8-10
0.513
EDJ-MED-4138fde9-7
0.512
JOH-MSK-949975c8-1
0.508
EDJ-MED-b1cef252-2
0.500
EDJ-MED-8bb691af-7
0.500
MAT-POS-89bd6af1-2
0.500
PET-UNK-94036022-9
0.500
PET-UNK-94036022-11
0.500
PET-UNK-6da3dcd8-8
0.500
PET-UNK-94036022-2
0.500
PET-UNK-94036022-4
0.500
MAT-POS-83a7b0a0-2
0.500
MIC-UNK-c85ea37c-2
0.496
VLA-UNK-61877630-8
0.492
VLA-UNK-e334495f-2
0.492
EDJ-MED-b6c6ee2b-4
0.487
VLA-UNK-61877630-7
0.484
JOH-MSK-ccc6e4c0-1
0.484
VLA-UNK-e334495f-1
0.484
ALP-POS-c3a90b22-7
0.483
EDJ-MED-159244ea-2
0.477
MAT-POS-983b399a-2
0.477
XIA-UNK-e3342273-1
0.476
MAT-POS-1d5ab790-1
0.475
MAT-POS-853c0ffa-5
0.475