Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(C(F)F)cc45)C3=O)C2)CC1 |
MW: | 556.11 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 94.37 |
cLogP: | 4.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-12-21 |
Synthesis Location: | moonshot |
Shipped: | 2022-01-26 |
Hetero_hetero
EDJ-MED-b6c6ee2b-4
0.816
MAT-POS-853c0ffa-13
0.794
EDJ-MED-5cd3920d-1
0.777
EDJ-MED-b6c6ee2b-3
0.766
MIK-ENA-60569a44-1
0.766
MIK-ENA-bb7b6957-1
0.766
MAT-POS-853c0ffa-11
0.759
MAT-POS-1a788f51-3
0.748
ALP-POS-ecbed2ba-4
0.741
EDJ-MED-8bb691af-6
0.741
MIK-ENA-5d9157e9-1
0.741
MIK-ENA-5d9157e9-2
0.741
MAT-POS-38eb6498-2
0.739
MAT-POS-1a788f51-2
0.735
MAT-POS-1a788f51-1
0.733
MAT-POS-40ad851a-4
0.731
EDJ-MED-468565e0-5
0.731
EDJ-MED-4138fde9-1
0.729
LUO-POS-8484f2d3-2
0.723
MIK-ENA-7066949b-1
0.723
MAT-POS-853c0ffa-9
0.723
MAT-POS-38eb6498-1
0.723
LUO-POS-8484f2d3-1
0.723
MIK-ENA-8063e9dc-1
0.723
EDJ-MED-ee81482e-2
0.720
EDJ-MED-ee81482e-1
0.718
EDJ-MED-468565e0-4
0.713
MAT-POS-40ad851a-3
0.711
EDJ-MED-ee81482e-3
0.707
MAT-POS-40ad851a-2
0.705
EDJ-MED-468565e0-1
0.702
LUO-POS-d1147590-1
0.702
MAT-POS-1a788f51-4
0.699
ALP-POS-ecbed2ba-8
0.696
PET-UNK-c6bcc80b-11
0.695
PET-UNK-c6bcc80b-4
0.695
MAT-POS-40ad851a-5
0.691
EDJ-MED-ee81482e-5
0.689
EDJ-MED-468565e0-2
0.688
ALP-POS-ecbed2ba-15
0.684
EDJ-MED-ee81482e-4
0.683
EDJ-MED-4138fde9-2
0.683
MAT-POS-853c0ffa-15
0.681
EDJ-MED-4138fde9-7
0.678
MAT-POS-40ad851a-1
0.677
ALP-POS-ecbed2ba-11
0.675
MAT-POS-853c0ffa-6
0.673
EDJ-MED-468565e0-3
0.669
PET-UNK-df7eb4e6-3
0.661
PET-UNK-df7eb4e6-7
0.661
ALP-POS-ecbed2ba-2
0.655
MAT-POS-853c0ffa-5
0.652
MAT-POS-1d5ab790-1
0.652
MAT-POS-853c0ffa-21
0.652
PET-UNK-94036022-2
0.640
PET-UNK-94036022-9
0.640
MAT-POS-853c0ffa-14
0.636
ALP-POS-133e7cd9-2
0.632
EDJ-MED-5cd3920d-5
0.629
MAT-POS-853c0ffa-20
0.617
EDJ-MED-3707c4bc-1
0.609
ALP-POS-ecbed2ba-3
0.609
MAT-POS-853c0ffa-19
0.603
EDJ-MED-705e09b8-2
0.602
MAT-POS-853c0ffa-12
0.602
VLA-UNK-e334495f-2
0.600
ALP-POS-ecbed2ba-22
0.600
VLA-UNK-61877630-8
0.600
EDJ-MED-accc2c4d-1
0.598
ALP-POS-ecbed2ba-13
0.597
PET-UNK-94036022-10
0.595
EDJ-MED-accc2c4d-3
0.595
PET-UNK-94036022-3
0.595
MAT-POS-853c0ffa-10
0.594
ALP-POS-ecbed2ba-6
0.588
EDJ-MED-5cd3920d-6
0.588
VLA-UNK-61877630-10
0.588
ALP-POS-ecbed2ba-1
0.583
PET-UNK-143b31ee-1
0.582
PET-UNK-143b31ee-4
0.582
EDJ-MED-3707c4bc-2
0.581
VLA-UNK-61877630-7
0.566
VLA-UNK-e334495f-1
0.566
MAT-POS-853c0ffa-18
0.554
MAT-POS-853c0ffa-22
0.553
MAT-POS-1bed62cf-1
0.549
LUO-POS-868e8996-10
0.549
ALP-POS-ecbed2ba-5
0.549
LUO-POS-868e8996-9
0.549
EDJ-MED-4138fde9-8
0.545
MAT-POS-853c0ffa-8
0.545
EDJ-MED-accc2c4d-4
0.542
ALP-POS-c3a90b22-7
0.541
EDJ-MED-7587a9ee-3
0.539
LUO-POS-ed2cfb03-2
0.538
ALP-POS-ecbed2ba-17
0.537
LUO-POS-e1dab717-15
0.536
MAT-POS-853c0ffa-16
0.535
EDJ-MED-4138fde9-9
0.532
PET-UNK-143b31ee-2
0.532