Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(Cl)cc45)C3=O)C2)CC1 |
MW: | 540.08 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 94.37 |
cLogP: | 4.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-12-21 |
Synthesis Location: | moonshot |
Shipped: | 2022-01-26 |
Hetero_hetero
MAT-POS-853c0ffa-13
0.848
MIK-ENA-bb7b6957-1
0.816
EDJ-MED-5cd3920d-2
0.816
EDJ-MED-b6c6ee2b-3
0.816
MIK-ENA-60569a44-1
0.816
ALP-POS-ecbed2ba-4
0.808
EDJ-MED-8bb691af-6
0.808
MIK-ENA-5d9157e9-1
0.808
MIK-ENA-5d9157e9-2
0.808
MAT-POS-853c0ffa-11
0.808
EDJ-MED-5cd3920d-1
0.792
MAT-POS-38eb6498-2
0.785
MAT-POS-1a788f51-1
0.778
EDJ-MED-ee81482e-1
0.778
MAT-POS-1a788f51-2
0.764
EDJ-MED-ee81482e-2
0.764
ALP-POS-ecbed2ba-8
0.757
EDJ-MED-4138fde9-1
0.757
MIK-ENA-8063e9dc-1
0.750
LUO-POS-8484f2d3-1
0.750
LUO-POS-8484f2d3-2
0.750
MIK-ENA-7066949b-1
0.750
MAT-POS-853c0ffa-9
0.750
MAT-POS-38eb6498-1
0.750
MAT-POS-40ad851a-4
0.743
EDJ-MED-468565e0-1
0.743
EDJ-MED-468565e0-5
0.743
LUO-POS-d1147590-1
0.743
EDJ-MED-ee81482e-5
0.743
ALP-POS-ecbed2ba-15
0.743
EDJ-MED-ee81482e-4
0.737
MAT-POS-40ad851a-3
0.737
MAT-POS-40ad851a-2
0.730
MAT-POS-40ad851a-5
0.730
MAT-POS-1a788f51-3
0.730
MAT-POS-1a788f51-4
0.724
EDJ-MED-468565e0-4
0.724
MAT-POS-853c0ffa-15
0.722
PET-UNK-c6bcc80b-4
0.721
PET-UNK-c6bcc80b-11
0.721
EDJ-MED-ee81482e-3
0.718
ALP-POS-ecbed2ba-11
0.716
MAT-POS-853c0ffa-6
0.714
EDJ-MED-468565e0-2
0.712
ALP-POS-ecbed2ba-2
0.709
MAT-POS-853c0ffa-5
0.708
MAT-POS-1d5ab790-1
0.708
EDJ-MED-468565e0-3
0.706
EDJ-MED-4138fde9-2
0.706
EDJ-MED-4138fde9-7
0.704
PET-UNK-df7eb4e6-7
0.701
PET-UNK-df7eb4e6-3
0.701
MAT-POS-40ad851a-1
0.700
PET-UNK-94036022-2
0.695
PET-UNK-94036022-9
0.695
ALP-POS-133e7cd9-2
0.685
MAT-POS-853c0ffa-21
0.676
MAT-POS-853c0ffa-14
0.658
MAT-POS-853c0ffa-20
0.652
EDJ-MED-705e09b8-2
0.651
ALP-POS-ecbed2ba-22
0.649
EDJ-MED-accc2c4d-1
0.648
PET-UNK-94036022-10
0.645
EDJ-MED-accc2c4d-3
0.645
PET-UNK-94036022-3
0.645
ALP-POS-ecbed2ba-3
0.645
PET-UNK-143b31ee-1
0.643
PET-UNK-143b31ee-4
0.643
EDJ-MED-5cd3920d-5
0.636
MAT-POS-853c0ffa-12
0.635
VLA-UNK-61877630-8
0.634
VLA-UNK-e334495f-2
0.634
MAT-POS-853c0ffa-19
0.622
EDJ-MED-5cd3920d-6
0.622
VLA-UNK-61877630-10
0.622
ALP-POS-ecbed2ba-6
0.622
ALP-POS-ecbed2ba-1
0.616
ALP-POS-ecbed2ba-13
0.616
EDJ-MED-3707c4bc-1
0.615
MAT-POS-853c0ffa-10
0.612
LUO-POS-868e8996-10
0.607
MAT-POS-1bed62cf-1
0.607
LUO-POS-868e8996-9
0.607
LUO-POS-e1dab717-3
0.606
EDJ-MED-3707c4bc-2
0.600
MAT-POS-ddfe83c6-6
0.596
ALP-POS-ecbed2ba-5
0.593
EDJ-MED-4138fde9-8
0.589
PET-UNK-143b31ee-2
0.586
PET-UNK-143b31ee-5
0.586
EDJ-MED-accc2c4d-4
0.586
ALP-POS-c3a90b22-7
0.584
VLA-UNK-61877630-7
0.583
VLA-UNK-e334495f-1
0.583
MAT-POS-853c0ffa-22
0.583
LUO-POS-e1dab717-15
0.578
EDJ-MED-4138fde9-9
0.574
EDJ-MED-4cb9dd84-3
0.570
MAT-POS-853c0ffa-18
0.570
EDJ-MED-7587a9ee-3
0.570