Molecule Details
| Molecular Properties | |
| SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(OCCN6CCC(F)(F)CC6)cc45)C3=O)C2)CC1 |
| MW: | 669.2 |
| Fraction sp3: | 0.48 |
| HBA: | 7 |
| HBD: | 0 |
| Rotatable Bonds: | 8 |
| TPSA: | 106.84 |
| cLogP: | 5.12 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-12-21 |
| Synthesis Location: | moonshot |
| Shipped: | synthesis in progress |
Hetero_hetero
EDJ-MED-468565e0-1
0.904
EDJ-MED-468565e0-5
0.888
EDJ-MED-468565e0-2
0.867
EDJ-MED-468565e0-3
0.844
MAT-POS-40ad851a-5
0.826
MAT-POS-1a788f51-1
0.814
MAT-POS-1a788f51-2
0.800
MAT-POS-40ad851a-4
0.795
EDJ-MED-4138fde9-1
0.793
LUO-POS-8484f2d3-2
0.787
MAT-POS-853c0ffa-9
0.787
MAT-POS-38eb6498-1
0.787
LUO-POS-8484f2d3-1
0.787
MIK-ENA-8063e9dc-1
0.787
MIK-ENA-7066949b-1
0.787
MAT-POS-1a788f51-3
0.782
MAT-POS-40ad851a-3
0.774
MAT-POS-40ad851a-2
0.768
MAT-POS-1a788f51-4
0.762
EDJ-MED-4138fde9-2
0.758
MIK-ENA-bb7b6957-1
0.756
EDJ-MED-b6c6ee2b-3
0.756
MIK-ENA-60569a44-1
0.756
EDJ-MED-5cd3920d-1
0.752
MAT-POS-40ad851a-1
0.738
EDJ-MED-ee81482e-3
0.729
EDJ-MED-ee81482e-2
0.728
EDJ-MED-ee81482e-1
0.726
EDJ-MED-b6c6ee2b-4
0.724
EDJ-MED-5cd3920d-2
0.713
LUO-POS-d1147590-1
0.711
MAT-POS-853c0ffa-13
0.708
EDJ-MED-ee81482e-4
0.692
MAT-POS-853c0ffa-11
0.667
MAT-POS-853c0ffa-19
0.667
ALP-POS-ecbed2ba-4
0.661
EDJ-MED-8bb691af-6
0.661
MIK-ENA-5d9157e9-1
0.661
MIK-ENA-5d9157e9-2
0.661
MAT-POS-853c0ffa-10
0.656
MAT-POS-38eb6498-2
0.651
EDJ-MED-ee81482e-5
0.647
MAT-POS-853c0ffa-6
0.629
ALP-POS-ecbed2ba-8
0.624
ALP-POS-ecbed2ba-15
0.614
PET-UNK-c6bcc80b-4
0.614
PET-UNK-c6bcc80b-11
0.614
MAT-POS-853c0ffa-5
0.611
MAT-POS-1d5ab790-1
0.611
MAT-POS-853c0ffa-15
0.600
EDJ-MED-4138fde9-7
0.597
ALP-POS-ecbed2ba-11
0.595
ALP-POS-ecbed2ba-2
0.591
PET-UNK-df7eb4e6-3
0.581
PET-UNK-df7eb4e6-7
0.581
PET-UNK-94036022-2
0.575
PET-UNK-94036022-9
0.575
MAT-POS-853c0ffa-21
0.574
MAT-POS-853c0ffa-14
0.573
ALP-POS-133e7cd9-2
0.569
VLA-UNK-61877630-8
0.565
VLA-UNK-e334495f-2
0.565
EDJ-MED-dfa1d800-4
0.563
ALP-POS-ecbed2ba-22
0.553
MAT-POS-853c0ffa-20
0.545
MAT-POS-853c0ffa-12
0.544
EDJ-MED-705e09b8-2
0.542
EDJ-MED-accc2c4d-1
0.538
PET-UNK-143b31ee-1
0.537
PET-UNK-143b31ee-4
0.537
EDJ-MED-4138fde9-3
0.536
ALP-POS-ecbed2ba-3
0.535
PET-UNK-94036022-3
0.535
EDJ-MED-accc2c4d-3
0.535
PET-UNK-94036022-10
0.535
EDJ-MED-5cd3920d-5
0.530
ALP-POS-ecbed2ba-6
0.530
EDJ-MED-5cd3920d-6
0.530
VLA-UNK-61877630-10
0.530
ALP-POS-ecbed2ba-13
0.526
LUO-POS-e1dab717-7
0.525
EDJ-MED-3707c4bc-1
0.523
EDJ-MED-b6c6ee2b-1
0.521
MAT-POS-38eb6498-3
0.521
ALP-POS-ecbed2ba-1
0.515
MAT-POS-853c0ffa-8
0.515
EDJ-MED-3707c4bc-2
0.511
MAT-POS-853c0ffa-18
0.511
ALP-POS-c3a90b22-7
0.511
EDJ-MED-4138fde9-4
0.510
MIK-ENA-30ee93be-1
0.503
VLA-UNK-e334495f-1
0.500
EDJ-MED-accc2c4d-4
0.500
EDJ-MED-dfa1d800-1
0.500
VLA-UNK-61877630-7
0.500
LUO-POS-868e8996-10
0.496
ALP-POS-ecbed2ba-5
0.496
LUO-POS-868e8996-9
0.496
MAT-POS-1bed62cf-1
0.496
MAT-POS-853c0ffa-7
0.493