Molecule Details
| Molecular Properties | |
| SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(OCCN6CCS(=O)(=O)CC6)cc45)C3=O)C2)CC1 |
| MW: | 683.16 |
| Fraction sp3: | 0.47 |
| HBA: | 9 |
| HBD: | 0 |
| Rotatable Bonds: | 8 |
| TPSA: | 140.98 |
| cLogP: | 3.12 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-12-21 |
| Synthesis Location: | moonshot |
| Shipped: | synthesis in progress |
Hetero_hetero
EDJ-MED-468565e0-1
0.866
EDJ-MED-468565e0-4
0.844
EDJ-MED-468565e0-5
0.835
EDJ-MED-468565e0-2
0.831
MAT-POS-1a788f51-1
0.793
MAT-POS-40ad851a-5
0.792
MAT-POS-1a788f51-2
0.780
EDJ-MED-4138fde9-1
0.774
MAT-POS-853c0ffa-9
0.768
MAT-POS-38eb6498-1
0.768
LUO-POS-8484f2d3-1
0.768
MIK-ENA-8063e9dc-1
0.768
MIK-ENA-7066949b-1
0.768
LUO-POS-8484f2d3-2
0.768
MAT-POS-40ad851a-4
0.762
MAT-POS-40ad851a-3
0.756
MAT-POS-40ad851a-2
0.750
MAT-POS-1a788f51-3
0.750
MAT-POS-1a788f51-4
0.744
MIK-ENA-bb7b6957-1
0.738
EDJ-MED-b6c6ee2b-3
0.738
MIK-ENA-60569a44-1
0.738
MAT-POS-40ad851a-1
0.735
EDJ-MED-4138fde9-2
0.727
EDJ-MED-ee81482e-3
0.725
EDJ-MED-ee81482e-2
0.724
EDJ-MED-5cd3920d-1
0.720
EDJ-MED-ee81482e-1
0.709
LUO-POS-d1147590-1
0.708
EDJ-MED-b6c6ee2b-4
0.706
MAT-POS-853c0ffa-13
0.677
EDJ-MED-ee81482e-4
0.677
EDJ-MED-5cd3920d-2
0.669
MAT-POS-853c0ffa-19
0.652
MAT-POS-853c0ffa-11
0.651
ALP-POS-ecbed2ba-4
0.645
EDJ-MED-8bb691af-6
0.645
MIK-ENA-5d9157e9-1
0.645
MIK-ENA-5d9157e9-2
0.645
MAT-POS-853c0ffa-10
0.642
ALP-POS-ecbed2ba-2
0.638
MAT-POS-38eb6498-2
0.636
EDJ-MED-ee81482e-5
0.620
ALP-POS-ecbed2ba-15
0.612
PET-UNK-c6bcc80b-4
0.612
PET-UNK-c6bcc80b-11
0.612
ALP-POS-ecbed2ba-8
0.609
MAT-POS-853c0ffa-6
0.602
MAT-POS-853c0ffa-5
0.597
MAT-POS-1d5ab790-1
0.597
EDJ-MED-4138fde9-7
0.595
MAT-POS-853c0ffa-15
0.586
ALP-POS-ecbed2ba-11
0.582
EDJ-MED-dfa1d800-3
0.572
PET-UNK-df7eb4e6-3
0.568
PET-UNK-df7eb4e6-7
0.568
PET-UNK-94036022-9
0.562
PET-UNK-94036022-2
0.562
ALP-POS-133e7cd9-2
0.556
MAT-POS-853c0ffa-21
0.549
MAT-POS-853c0ffa-14
0.548
ALP-POS-ecbed2ba-22
0.541
ALP-POS-ecbed2ba-1
0.537
EDJ-MED-4138fde9-3
0.536
MAT-POS-853c0ffa-20
0.533
MAT-POS-853c0ffa-12
0.532
EDJ-MED-705e09b8-2
0.530
VLA-UNK-61877630-8
0.529
VLA-UNK-e334495f-2
0.529
EDJ-MED-accc2c4d-1
0.526
PET-UNK-143b31ee-1
0.526
PET-UNK-143b31ee-4
0.526
LUO-POS-e1dab717-7
0.524
ALP-POS-ecbed2ba-3
0.523
PET-UNK-94036022-3
0.523
EDJ-MED-accc2c4d-3
0.523
PET-UNK-94036022-10
0.523
EDJ-MED-b6c6ee2b-1
0.521
MAT-POS-38eb6498-3
0.521
ALP-POS-ecbed2ba-5
0.519
ALP-POS-ecbed2ba-6
0.519
EDJ-MED-5cd3920d-5
0.507
EDJ-MED-5cd3920d-6
0.507
VLA-UNK-61877630-10
0.507
ALP-POS-ecbed2ba-13
0.504
MIK-ENA-30ee93be-1
0.503
EDJ-MED-4138fde9-4
0.500
EDJ-MED-3707c4bc-1
0.500
ALP-POS-c3a90b22-7
0.500
LUO-POS-868e8996-10
0.496
LUO-POS-868e8996-9
0.496
MAT-POS-1bed62cf-1
0.496
MAT-POS-853c0ffa-8
0.493
MAT-POS-853c0ffa-18
0.489
EDJ-MED-accc2c4d-4
0.489
EDJ-MED-3707c4bc-2
0.489
EDJ-MED-b6c6ee2b-2
0.486
MAT-POS-853c0ffa-7
0.482
EDJ-MED-4138fde9-8
0.482
MIK-ENA-26b331e0-1
0.481