Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(OC6CNC6)cc45)C3=O)C2)CC1 |
MW: | 577.16 |
Fraction sp3: | 0.41 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 115.63 |
cLogP: | 3.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-12-21 |
Synthesis Location: | moonshot |
Shipped: | synthesis in progress |
Hetero_hetero
EDJ-MED-ee81482e-4
0.860
EDJ-MED-ee81482e-2
0.857
LUO-POS-d1147590-1
0.835
MIK-ENA-bb7b6957-1
0.811
EDJ-MED-b6c6ee2b-3
0.811
MIK-ENA-60569a44-1
0.811
EDJ-MED-5cd3920d-1
0.789
EDJ-MED-b6c6ee2b-4
0.778
MAT-POS-1a788f51-1
0.776
MAT-POS-1a788f51-2
0.763
EDJ-MED-4138fde9-1
0.756
LUO-POS-8484f2d3-1
0.750
MAT-POS-853c0ffa-9
0.750
MAT-POS-38eb6498-1
0.750
MIK-ENA-8063e9dc-1
0.750
LUO-POS-8484f2d3-2
0.750
MIK-ENA-7066949b-1
0.750
MAT-POS-1a788f51-3
0.746
EDJ-MED-468565e0-1
0.744
MAT-POS-40ad851a-4
0.744
EDJ-MED-468565e0-5
0.744
MAT-POS-853c0ffa-13
0.743
MAT-POS-40ad851a-3
0.738
MAT-POS-40ad851a-5
0.732
MAT-POS-40ad851a-2
0.732
MAT-POS-1a788f51-4
0.726
EDJ-MED-468565e0-4
0.726
MIK-ENA-5d9157e9-1
0.723
EDJ-MED-8bb691af-6
0.723
MIK-ENA-5d9157e9-2
0.723
ALP-POS-ecbed2ba-4
0.723
EDJ-MED-ee81482e-3
0.720
EDJ-MED-5cd3920d-2
0.718
MAT-POS-40ad851a-1
0.717
EDJ-MED-468565e0-2
0.714
MAT-POS-853c0ffa-11
0.712
EDJ-MED-468565e0-3
0.709
EDJ-MED-4138fde9-2
0.709
MAT-POS-38eb6498-2
0.694
ALP-POS-ecbed2ba-8
0.681
ALP-POS-ecbed2ba-15
0.669
EDJ-MED-ee81482e-5
0.661
ALP-POS-ecbed2ba-11
0.648
ALP-POS-ecbed2ba-2
0.642
PET-UNK-c6bcc80b-4
0.640
PET-UNK-c6bcc80b-11
0.640
MAT-POS-853c0ffa-15
0.639
EDJ-MED-4138fde9-7
0.636
MAT-POS-853c0ffa-6
0.630
MAT-POS-853c0ffa-19
0.630
PET-UNK-94036022-9
0.627
PET-UNK-94036022-2
0.627
MAT-POS-1d5ab790-1
0.625
MAT-POS-853c0ffa-5
0.625
MAT-POS-853c0ffa-10
0.620
ALP-POS-133e7cd9-2
0.620
PET-UNK-df7eb4e6-3
0.620
PET-UNK-df7eb4e6-7
0.620
MAT-POS-853c0ffa-21
0.598
MAT-POS-853c0ffa-14
0.597
PET-UNK-94036022-3
0.597
PET-UNK-94036022-10
0.597
ALP-POS-ecbed2ba-22
0.589
EDJ-MED-accc2c4d-1
0.587
PET-UNK-143b31ee-1
0.584
PET-UNK-143b31ee-4
0.584
ALP-POS-ecbed2ba-3
0.583
EDJ-MED-accc2c4d-3
0.583
MAT-POS-853c0ffa-20
0.579
MAT-POS-853c0ffa-12
0.578
ALP-POS-ecbed2ba-6
0.577
EDJ-MED-705e09b8-2
0.577
VLA-UNK-61877630-8
0.576
VLA-UNK-e334495f-2
0.576
VLA-UNK-61877630-10
0.565
ALP-POS-ecbed2ba-5
0.565
EDJ-MED-5cd3920d-5
0.565
EDJ-MED-5cd3920d-6
0.565
ALP-POS-ecbed2ba-13
0.560
ALP-POS-ecbed2ba-1
0.560
EDJ-MED-3707c4bc-1
0.557
EDJ-MED-3707c4bc-2
0.557
EDJ-MED-4138fde9-8
0.548
VLA-UNK-61877630-7
0.543
VLA-UNK-e334495f-1
0.543
MAT-POS-1bed62cf-1
0.540
LUO-POS-868e8996-9
0.540
LUO-POS-868e8996-10
0.540
EDJ-MED-4138fde9-9
0.535
PET-UNK-143b31ee-2
0.535
PET-UNK-143b31ee-5
0.535
EDJ-MED-accc2c4d-4
0.532
ALP-POS-c3a90b22-7
0.532
ALP-POS-ecbed2ba-17
0.528
LUO-POS-e1dab717-15
0.527
ALP-POS-ecbed2ba-9
0.520
MAT-POS-853c0ffa-22
0.519
LUO-POS-e1dab717-5
0.519
EDJ-MED-7587a9ee-3
0.517
LUO-POS-ed2cfb03-2
0.516