Molecular Properties | |
SMILES: | CS(=O)(=O)Nc1cc2cncc(N3CCC4(CN(S(=O)(=O)CC5(C#N)CC5)Cc5ccc(Cl)cc54)C3=O)c2cc1F |
MW: | 617.1 |
Fraction sp3: | 0.37 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 140.54 |
cLogP: | 3.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-c6bcc80b-11
1.000
EDJ-MED-b6c6ee2b-4
0.721
MAT-POS-853c0ffa-13
0.719
MAT-POS-853c0ffa-15
0.716
EDJ-MED-5cd3920d-2
0.695
MAT-POS-38eb6498-2
0.686
ALP-POS-ecbed2ba-4
0.684
MIK-ENA-5d9157e9-1
0.684
EDJ-MED-8bb691af-6
0.684
MIK-ENA-5d9157e9-2
0.684
MIK-ENA-bb7b6957-1
0.681
EDJ-MED-b6c6ee2b-3
0.681
MIK-ENA-60569a44-1
0.681
MAT-POS-853c0ffa-11
0.675
MAT-POS-1a788f51-2
0.669
PET-UNK-c6bcc80b-12
0.667
PET-UNK-c6bcc80b-5
0.667
EDJ-MED-4138fde9-1
0.664
EDJ-MED-5cd3920d-1
0.664
EDJ-MED-ee81482e-2
0.656
MAT-POS-1a788f51-4
0.651
MAT-POS-853c0ffa-6
0.650
ALP-POS-ecbed2ba-8
0.644
MAT-POS-1a788f51-3
0.643
LUO-POS-d1147590-1
0.641
EDJ-MED-ee81482e-5
0.641
MAT-POS-40ad851a-4
0.641
EDJ-MED-ee81482e-1
0.640
MAT-POS-1a788f51-1
0.640
EDJ-MED-4138fde9-2
0.636
ALP-POS-ecbed2ba-15
0.633
LUO-POS-8484f2d3-1
0.633
MAT-POS-853c0ffa-9
0.633
MAT-POS-38eb6498-1
0.633
MIK-ENA-8063e9dc-1
0.633
LUO-POS-8484f2d3-2
0.633
MIK-ENA-7066949b-1
0.633
MAT-POS-1d5ab790-1
0.630
MAT-POS-853c0ffa-5
0.630
EDJ-MED-4138fde9-7
0.628
EDJ-MED-468565e0-5
0.628
PET-UNK-df7eb4e6-3
0.625
PET-UNK-df7eb4e6-7
0.625
MAT-POS-40ad851a-3
0.623
ALP-POS-ecbed2ba-2
0.621
MAT-POS-40ad851a-1
0.619
MAT-POS-40ad851a-2
0.618
EDJ-MED-468565e0-1
0.615
EDJ-MED-468565e0-4
0.614
ALP-POS-ecbed2ba-11
0.613
EDJ-MED-468565e0-3
0.612
EDJ-MED-ee81482e-4
0.611
EDJ-MED-ee81482e-3
0.609
MAT-POS-40ad851a-5
0.606
MAT-POS-853c0ffa-21
0.603
EDJ-MED-468565e0-2
0.593
PET-UNK-94036022-9
0.592
PET-UNK-94036022-2
0.592
MAT-POS-853c0ffa-22
0.585
ALP-POS-133e7cd9-2
0.585
EDJ-MED-705e09b8-2
0.582
MAT-POS-853c0ffa-14
0.576
ALP-POS-ecbed2ba-3
0.575
PET-UNK-c6bcc80b-6
0.571
PET-UNK-c6bcc80b-13
0.571
VLA-UNK-61877630-8
0.568
VLA-UNK-e334495f-2
0.568
MAT-POS-853c0ffa-16
0.567
ALP-POS-ecbed2ba-1
0.565
PET-UNK-94036022-3
0.562
PET-UNK-94036022-10
0.562
MAT-POS-853c0ffa-20
0.559
VLA-UNK-61877630-10
0.556
EDJ-MED-5cd3920d-6
0.556
ALP-POS-ecbed2ba-22
0.556
EDJ-MED-accc2c4d-1
0.553
EDJ-MED-accc2c4d-3
0.549
MAT-POS-853c0ffa-18
0.548
ALP-POS-ecbed2ba-6
0.544
EDJ-MED-5cd3920d-5
0.544
ALP-POS-ecbed2ba-13
0.540
PET-UNK-143b31ee-1
0.539
PET-UNK-143b31ee-4
0.539
MAT-POS-853c0ffa-19
0.537
MAT-POS-853c0ffa-12
0.534
MAT-POS-853c0ffa-8
0.528
EDJ-MED-3707c4bc-1
0.524
EDJ-MED-3707c4bc-2
0.524
MAT-POS-853c0ffa-17
0.524
VLA-UNK-61877630-7
0.523
VLA-UNK-e334495f-1
0.523
ALP-POS-ecbed2ba-5
0.520
MAT-POS-853c0ffa-10
0.518
ALP-POS-c3a90b22-7
0.512
EDJ-MED-7587a9ee-3
0.508
LUO-POS-ed2cfb03-2
0.508
MAT-POS-1bed62cf-1
0.508
LUO-POS-868e8996-9
0.508
LUO-POS-868e8996-10
0.508
EDJ-MED-9f4ac58c-3
0.507