Molecule Details
| Molecular Properties | |
| SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(OCCN6CCOCC6)cc45)C3=O)C2)CC1 |
| MW: | 635.2 |
| Fraction sp3: | 0.47 |
| HBA: | 8 |
| HBD: | 0 |
| Rotatable Bonds: | 8 |
| TPSA: | 116.07 |
| cLogP: | 3.72 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-12-21 |
| Synthesis Location: | moonshot |
| Shipped: | 2022-01-26 |
Hetero_hetero
EDJ-MED-468565e0-1
0.873
EDJ-MED-468565e0-4
0.867
EDJ-MED-468565e0-5
0.842
EDJ-MED-468565e0-3
0.831
MAT-POS-1a788f51-2
0.802
MAT-POS-1a788f51-1
0.800
MAT-POS-40ad851a-5
0.798
EDJ-MED-4138fde9-1
0.780
MIK-ENA-8063e9dc-1
0.774
MAT-POS-853c0ffa-9
0.774
MAT-POS-38eb6498-1
0.774
LUO-POS-8484f2d3-1
0.774
LUO-POS-8484f2d3-2
0.774
MIK-ENA-7066949b-1
0.774
MAT-POS-40ad851a-4
0.768
MAT-POS-40ad851a-3
0.762
MIK-ENA-bb7b6957-1
0.758
MIK-ENA-60569a44-1
0.758
EDJ-MED-b6c6ee2b-3
0.758
MAT-POS-40ad851a-2
0.756
MAT-POS-1a788f51-3
0.756
MAT-POS-1a788f51-4
0.750
EDJ-MED-4138fde9-2
0.733
MAT-POS-40ad851a-1
0.727
EDJ-MED-5cd3920d-1
0.726
EDJ-MED-ee81482e-3
0.718
EDJ-MED-ee81482e-2
0.717
EDJ-MED-ee81482e-1
0.714
EDJ-MED-b6c6ee2b-4
0.712
LUO-POS-d1147590-1
0.700
EDJ-MED-5cd3920d-2
0.688
MAT-POS-853c0ffa-13
0.683
EDJ-MED-ee81482e-4
0.682
EDJ-MED-ee81482e-5
0.674
MAT-POS-853c0ffa-10
0.659
MAT-POS-853c0ffa-19
0.656
MAT-POS-853c0ffa-11
0.656
ALP-POS-ecbed2ba-4
0.650
EDJ-MED-8bb691af-6
0.650
MIK-ENA-5d9157e9-1
0.650
MIK-ENA-5d9157e9-2
0.650
MAT-POS-38eb6498-2
0.641
ALP-POS-ecbed2ba-11
0.636
ALP-POS-ecbed2ba-8
0.614
MAT-POS-853c0ffa-6
0.606
ALP-POS-ecbed2ba-15
0.605
PET-UNK-c6bcc80b-4
0.593
PET-UNK-c6bcc80b-11
0.593
MAT-POS-853c0ffa-15
0.591
MAT-POS-853c0ffa-5
0.589
MAT-POS-1d5ab790-1
0.589
EDJ-MED-4138fde9-7
0.588
ALP-POS-ecbed2ba-2
0.582
EDJ-MED-dfa1d800-2
0.573
PET-UNK-df7eb4e6-3
0.573
PET-UNK-df7eb4e6-7
0.573
PET-UNK-94036022-9
0.566
PET-UNK-94036022-2
0.566
MAT-POS-853c0ffa-14
0.564
ALP-POS-133e7cd9-2
0.561
MAT-POS-853c0ffa-21
0.553
MAT-POS-853c0ffa-12
0.547
EDJ-MED-705e09b8-2
0.545
VLA-UNK-61877630-8
0.545
ALP-POS-ecbed2ba-22
0.545
VLA-UNK-e334495f-2
0.545
EDJ-MED-4138fde9-3
0.540
EDJ-MED-accc2c4d-3
0.538
MAT-POS-853c0ffa-20
0.537
ALP-POS-ecbed2ba-6
0.534
EDJ-MED-accc2c4d-1
0.530
PET-UNK-143b31ee-1
0.529
PET-UNK-143b31ee-4
0.529
LUO-POS-e1dab717-7
0.528
ALP-POS-ecbed2ba-3
0.527
PET-UNK-94036022-3
0.527
PET-UNK-94036022-10
0.527
ALP-POS-ecbed2ba-13
0.519
MIK-ENA-30ee93be-1
0.517
EDJ-MED-b6c6ee2b-1
0.514
MAT-POS-38eb6498-3
0.514
EDJ-MED-5cd3920d-5
0.511
EDJ-MED-5cd3920d-6
0.511
VLA-UNK-61877630-10
0.511
EDJ-MED-4138fde9-8
0.507
MAT-POS-853c0ffa-8
0.507
ALP-POS-ecbed2ba-1
0.507
EDJ-MED-3707c4bc-1
0.504
ALP-POS-c3a90b22-7
0.504
EDJ-MED-4138fde9-4
0.503
MIK-ENA-26b331e0-1
0.493
EDJ-MED-dfa1d800-4
0.493
EDJ-MED-dfa1d800-1
0.493
LUO-POS-e1dab717-5
0.493
MAT-POS-853c0ffa-18
0.493
EDJ-MED-accc2c4d-4
0.493
EDJ-MED-3707c4bc-2
0.493
MAT-POS-853c0ffa-16
0.489
MAT-POS-1bed62cf-1
0.489
LUO-POS-868e8996-9
0.489