Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3c(F)cc(Cl)cc3[C@]3(CCN(c4cncc5ccccc45)C3=O)C2)CC1 |
MW: | 524.11 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 94.37 |
cLogP: | 4.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
VLA-UNK-e334495f-1
1.000
EDJ-MED-8bb691af-6
0.726
MIK-ENA-5d9157e9-1
0.726
MIK-ENA-5d9157e9-2
0.726
ALP-POS-ecbed2ba-4
0.726
VLA-UNK-61877630-8
0.700
VLA-UNK-e334495f-2
0.700
ALP-POS-ecbed2ba-8
0.682
ALP-POS-ecbed2ba-15
0.670
ALP-POS-ecbed2ba-11
0.647
ALP-POS-ecbed2ba-2
0.641
EDJ-MED-4138fde9-7
0.635
ALP-POS-133e7cd9-2
0.632
PET-UNK-94036022-2
0.625
PET-UNK-94036022-9
0.625
VLA-UNK-5d8210f0-1
0.607
EDJ-MED-9f4ac58c-2
0.600
EDJ-MED-accc2c4d-3
0.593
ALP-POS-c3a90b22-7
0.591
EDJ-MED-5cd3920d-5
0.586
MAT-POS-853c0ffa-13
0.585
ALP-POS-ecbed2ba-22
0.585
EDJ-MED-b6c6ee2b-4
0.583
EDJ-MED-accc2c4d-1
0.583
ALP-POS-ecbed2ba-3
0.579
PET-UNK-94036022-10
0.579
PET-UNK-94036022-3
0.579
EDJ-MED-5cd3920d-6
0.573
VLA-UNK-61877630-10
0.573
ALP-POS-ecbed2ba-13
0.568
ALP-POS-c3a90b22-8
0.568
EDJ-MED-5cd3920d-2
0.566
EDJ-MED-7e491f08-1
0.564
LUO-POS-f7b1afe6-1
0.560
ALP-POS-01611061-2
0.560
ALP-POS-ecbed2ba-6
0.559
ALP-POS-ecbed2ba-1
0.555
PET-UNK-143b31ee-1
0.554
PET-UNK-143b31ee-4
0.554
EDJ-MED-5cd3920d-1
0.552
EDJ-MED-accc2c4d-4
0.552
EDJ-MED-3707c4bc-1
0.552
EDJ-MED-3707c4bc-2
0.552
ALP-POS-ecbed2ba-9
0.551
EDJ-MED-a12e3a20-1
0.551
MAT-POS-38eb6498-2
0.548
MAT-POS-1bed62cf-1
0.546
ALP-POS-ecbed2ba-5
0.546
LUO-POS-868e8996-9
0.546
LUO-POS-868e8996-10
0.546
MAT-POS-853c0ffa-6
0.546
ALP-POS-01611061-3
0.546
MIK-ENA-be04d1d4-1
0.545
MIK-ENA-e143773d-1
0.545
MIK-ENA-edcfce18-1
0.545
MIK-ENA-0547b12c-1
0.545
MAT-POS-50a80394-2
0.545
MAT-POS-853c0ffa-15
0.545
EDJ-MED-ee81482e-1
0.543
EDJ-MED-4138fde9-8
0.542
MAT-POS-50a80394-8
0.542
ALP-POS-01611061-1
0.542
LUO-POS-f7b1afe6-2
0.542
MAT-POS-b3212acf-2
0.541
MIC-UNK-257d841f-1
0.541
EDJ-MED-b6c6ee2b-3
0.540
MIK-ENA-60569a44-1
0.540
MIK-ENA-bb7b6957-1
0.540
MAT-POS-50a80394-3
0.537
MAT-POS-b3212acf-1
0.537
MAT-POS-853c0ffa-11
0.536
EDJ-MED-7587a9ee-3
0.536
LUO-POS-ed2cfb03-2
0.535
MAT-POS-40ad851a-4
0.534
ALP-POS-ecbed2ba-17
0.533
MIK-ENA-99706bb8-1
0.533
MIK-ENA-17e27e9c-1
0.533
MIK-ENA-623fe2a6-1
0.533
MIK-ENA-2c0ad173-1
0.533
MAT-POS-50a80394-1
0.533
EDJ-MED-ee81482e-4
0.530
MAT-POS-c2d406ed-1
0.529
MIK-ENA-f156d06e-1
0.529
EDJ-MED-4138fde9-9
0.529
EDJ-MED-8bb691af-5
0.529
LUO-POS-5857a86a-2
0.529
PET-UNK-143b31ee-2
0.528
PET-UNK-143b31ee-5
0.528
MAT-POS-853c0ffa-9
0.527
MAT-POS-38eb6498-1
0.527
LUO-POS-8484f2d3-1
0.527
MIK-ENA-8063e9dc-1
0.527
LUO-POS-8484f2d3-2
0.527
MIK-ENA-7066949b-1
0.527
PET-UNK-aa57768f-2
0.526
PET-UNK-aa57768f-8
0.526
ALP-POS-ecbed2ba-20
0.526
EDJ-MED-accc2c4d-2
0.525
PET-UNK-df7eb4e6-3
0.525
PET-UNK-df7eb4e6-7
0.525