Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(OC(F)F)cc45)C3=O)C2)CC1 |
MW: | 572.11 |
Fraction sp3: | 0.37 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 103.6 |
cLogP: | 4.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-12-21 |
Synthesis Location: | moonshot |
Shipped: | synthesis in progress |
Hetero_hetero
EDJ-MED-b6c6ee2b-3
0.826
MIK-ENA-60569a44-1
0.826
MIK-ENA-bb7b6957-1
0.826
EDJ-MED-b6c6ee2b-4
0.792
MAT-POS-1a788f51-2
0.791
EDJ-MED-ee81482e-2
0.791
MAT-POS-1a788f51-1
0.789
EDJ-MED-ee81482e-1
0.789
EDJ-MED-5cd3920d-2
0.777
MAT-POS-853c0ffa-13
0.773
MAT-POS-40ad851a-4
0.771
EDJ-MED-468565e0-5
0.771
EDJ-MED-4138fde9-1
0.769
MIK-ENA-8063e9dc-1
0.763
LUO-POS-8484f2d3-2
0.763
MIK-ENA-7066949b-1
0.763
LUO-POS-8484f2d3-1
0.763
MAT-POS-853c0ffa-9
0.763
MAT-POS-38eb6498-1
0.763
EDJ-MED-ee81482e-3
0.760
MAT-POS-1a788f51-3
0.758
EDJ-MED-468565e0-1
0.756
LUO-POS-d1147590-1
0.756
EDJ-MED-468565e0-4
0.752
MAT-POS-40ad851a-3
0.750
EDJ-MED-ee81482e-4
0.750
MAT-POS-40ad851a-5
0.744
MAT-POS-40ad851a-2
0.744
MAT-POS-1a788f51-4
0.738
EDJ-MED-4138fde9-2
0.734
EDJ-MED-468565e0-2
0.726
MAT-POS-853c0ffa-11
0.724
ALP-POS-ecbed2ba-4
0.721
MIK-ENA-5d9157e9-1
0.721
EDJ-MED-8bb691af-6
0.721
MIK-ENA-5d9157e9-2
0.721
MAT-POS-38eb6498-2
0.720
EDJ-MED-468565e0-3
0.720
MAT-POS-40ad851a-1
0.714
ALP-POS-ecbed2ba-8
0.678
EDJ-MED-ee81482e-5
0.672
ALP-POS-ecbed2ba-15
0.667
PET-UNK-c6bcc80b-4
0.664
PET-UNK-c6bcc80b-11
0.664
MAT-POS-853c0ffa-6
0.655
MAT-POS-853c0ffa-15
0.650
ALP-POS-ecbed2ba-11
0.645
MAT-POS-853c0ffa-19
0.640
ALP-POS-ecbed2ba-2
0.639
MAT-POS-1d5ab790-1
0.636
MAT-POS-853c0ffa-5
0.636
EDJ-MED-4138fde9-7
0.633
PET-UNK-df7eb4e6-3
0.630
PET-UNK-df7eb4e6-7
0.630
MAT-POS-853c0ffa-10
0.630
PET-UNK-94036022-2
0.624
PET-UNK-94036022-9
0.624
MAT-POS-853c0ffa-21
0.622
MAT-POS-853c0ffa-14
0.620
ALP-POS-133e7cd9-2
0.617
EDJ-MED-5cd3920d-5
0.600
MAT-POS-853c0ffa-20
0.589
MAT-POS-853c0ffa-12
0.587
EDJ-MED-705e09b8-2
0.587
VLA-UNK-e334495f-2
0.585
VLA-UNK-61877630-8
0.585
ALP-POS-ecbed2ba-22
0.585
EDJ-MED-accc2c4d-1
0.583
PET-UNK-143b31ee-1
0.581
PET-UNK-143b31ee-4
0.581
PET-UNK-94036022-3
0.580
PET-UNK-94036022-10
0.580
EDJ-MED-accc2c4d-3
0.580
ALP-POS-ecbed2ba-3
0.580
VLA-UNK-61877630-10
0.574
ALP-POS-ecbed2ba-6
0.574
EDJ-MED-5cd3920d-6
0.574
EDJ-MED-3707c4bc-1
0.567
ALP-POS-ecbed2ba-1
0.556
ALP-POS-ecbed2ba-13
0.556
EDJ-MED-3707c4bc-2
0.554
VLA-UNK-61877630-7
0.552
VLA-UNK-e334495f-1
0.552
MAT-POS-1bed62cf-1
0.536
LUO-POS-868e8996-9
0.536
LUO-POS-868e8996-10
0.536
ALP-POS-ecbed2ba-5
0.536
EDJ-MED-4138fde9-8
0.532
MAT-POS-853c0ffa-8
0.532
EDJ-MED-5cd3920d-3
0.531
EDJ-MED-accc2c4d-4
0.528
EDJ-MED-7e491f08-1
0.528
ALP-POS-c3a90b22-7
0.528
MAT-POS-853c0ffa-18
0.528
LUO-POS-e1dab717-5
0.528
MAT-POS-853c0ffa-22
0.528
ALP-POS-01611061-2
0.524
LUO-POS-f7b1afe6-1
0.524
EDJ-MED-b6c6ee2b-2
0.524
LUO-POS-e1dab717-15
0.523