Molecule Details
| Molecular Properties | |
| SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(OCCN6CC(F)(F)C6)cc45)C3=O)C2)CC1 |
| MW: | 641.17 |
| Fraction sp3: | 0.45 |
| HBA: | 7 |
| HBD: | 0 |
| Rotatable Bonds: | 8 |
| TPSA: | 106.84 |
| cLogP: | 4.34 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-12-21 |
| Synthesis Location: | moonshot |
| Shipped: | synthesis in progress |
Hetero_hetero
EDJ-MED-468565e0-4
0.888
EDJ-MED-468565e0-1
0.878
EDJ-MED-468565e0-2
0.842
MAT-POS-1a788f51-1
0.835
EDJ-MED-468565e0-3
0.835
MAT-POS-1a788f51-2
0.821
MAT-POS-40ad851a-5
0.817
MAT-POS-40ad851a-4
0.815
EDJ-MED-4138fde9-1
0.814
MAT-POS-853c0ffa-9
0.807
MAT-POS-38eb6498-1
0.807
LUO-POS-8484f2d3-1
0.807
MIK-ENA-8063e9dc-1
0.807
MIK-ENA-7066949b-1
0.807
LUO-POS-8484f2d3-2
0.807
MAT-POS-1a788f51-3
0.802
MAT-POS-40ad851a-3
0.793
MAT-POS-40ad851a-2
0.787
MAT-POS-1a788f51-4
0.780
EDJ-MED-4138fde9-2
0.776
MIK-ENA-bb7b6957-1
0.776
EDJ-MED-b6c6ee2b-3
0.776
MIK-ENA-60569a44-1
0.776
EDJ-MED-5cd3920d-1
0.771
MAT-POS-40ad851a-1
0.756
EDJ-MED-ee81482e-3
0.746
EDJ-MED-ee81482e-2
0.746
EDJ-MED-ee81482e-1
0.744
EDJ-MED-b6c6ee2b-4
0.743
EDJ-MED-5cd3920d-2
0.731
LUO-POS-d1147590-1
0.728
MAT-POS-853c0ffa-13
0.726
EDJ-MED-ee81482e-4
0.709
MAT-POS-853c0ffa-11
0.683
MAT-POS-853c0ffa-19
0.683
ALP-POS-ecbed2ba-4
0.678
EDJ-MED-8bb691af-6
0.678
MIK-ENA-5d9157e9-1
0.678
MIK-ENA-5d9157e9-2
0.678
MAT-POS-853c0ffa-10
0.672
MAT-POS-38eb6498-2
0.667
EDJ-MED-ee81482e-5
0.649
MAT-POS-853c0ffa-6
0.645
ALP-POS-ecbed2ba-8
0.639
ALP-POS-ecbed2ba-15
0.629
PET-UNK-c6bcc80b-4
0.628
PET-UNK-c6bcc80b-11
0.628
MAT-POS-853c0ffa-15
0.614
MAT-POS-853c0ffa-5
0.613
MAT-POS-1d5ab790-1
0.613
EDJ-MED-4138fde9-7
0.611
ALP-POS-ecbed2ba-11
0.609
ALP-POS-ecbed2ba-2
0.605
PET-UNK-df7eb4e6-3
0.595
PET-UNK-df7eb4e6-7
0.595
PET-UNK-94036022-9
0.589
PET-UNK-94036022-2
0.589
MAT-POS-853c0ffa-21
0.587
MAT-POS-853c0ffa-14
0.586
ALP-POS-133e7cd9-2
0.583
ALP-POS-ecbed2ba-22
0.566
VLA-UNK-61877630-8
0.566
VLA-UNK-e334495f-2
0.566
MAT-POS-853c0ffa-20
0.557
MAT-POS-853c0ffa-12
0.556
EDJ-MED-705e09b8-2
0.555
EDJ-MED-dfa1d800-5
0.554
EDJ-MED-accc2c4d-1
0.551
PET-UNK-143b31ee-1
0.550
PET-UNK-143b31ee-4
0.550
EDJ-MED-4138fde9-3
0.548
ALP-POS-ecbed2ba-3
0.548
PET-UNK-94036022-3
0.548
EDJ-MED-accc2c4d-3
0.548
PET-UNK-94036022-10
0.548
ALP-POS-ecbed2ba-6
0.543
EDJ-MED-5cd3920d-6
0.543
VLA-UNK-61877630-10
0.543
EDJ-MED-5cd3920d-5
0.543
ALP-POS-ecbed2ba-13
0.538
LUO-POS-e1dab717-7
0.536
EDJ-MED-3707c4bc-1
0.535
EDJ-MED-b6c6ee2b-1
0.533
MAT-POS-38eb6498-3
0.533
ALP-POS-ecbed2ba-1
0.527
MAT-POS-853c0ffa-8
0.527
EDJ-MED-accc2c4d-4
0.523
EDJ-MED-3707c4bc-2
0.523
MAT-POS-853c0ffa-18
0.523
EDJ-MED-4138fde9-4
0.521
MIK-ENA-30ee93be-1
0.514
ALP-POS-c3a90b22-7
0.511
VLA-UNK-61877630-7
0.511
VLA-UNK-e334495f-1
0.511
LUO-POS-868e8996-10
0.508
ALP-POS-ecbed2ba-5
0.508
LUO-POS-868e8996-9
0.508
MAT-POS-1bed62cf-1
0.508
LUO-POS-e1dab717-15
0.507
EDJ-MED-4138fde9-8
0.504