Molecular Properties | |
SMILES: | CCN(CC)CCOc1ccc2cncc(N3CCC4(CN(S(=O)(=O)CC5(C#N)CC5)Cc5ccc(Cl)cc54)C3=O)c2c1 |
MW: | 621.22 |
Fraction sp3: | 0.47 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 10 |
TPSA: | 106.84 |
cLogP: | 4.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-12-21 |
Synthesis Location: | moonshot |
Shipped: | 2022-01-26 |
Hetero_hetero
MAT-POS-853c0ffa-9
MAT-POS-40ad851a-2
0.888
MIK-ENA-8063e9dc-1
0.878
MAT-POS-853c0ffa-9
0.878
MAT-POS-38eb6498-1
0.878
LUO-POS-8484f2d3-1
0.878
LUO-POS-8484f2d3-2
0.878
MIK-ENA-7066949b-1
0.878
MAT-POS-40ad851a-4
0.839
MAT-POS-1a788f51-2
0.829
MAT-POS-1a788f51-1
0.828
EDJ-MED-4138fde9-1
0.822
MAT-POS-1a788f51-3
0.795
EDJ-MED-468565e0-1
0.793
EDJ-MED-468565e0-5
0.793
MAT-POS-1a788f51-4
0.789
MIK-ENA-bb7b6957-1
0.784
MIK-ENA-60569a44-1
0.784
EDJ-MED-b6c6ee2b-3
0.784
MAT-POS-40ad851a-5
0.780
EDJ-MED-468565e0-4
0.774
EDJ-MED-ee81482e-3
0.768
EDJ-MED-468565e0-2
0.762
EDJ-MED-4138fde9-2
0.756
EDJ-MED-468565e0-3
0.756
EDJ-MED-5cd3920d-1
0.750
MAT-POS-853c0ffa-19
0.746
EDJ-MED-ee81482e-2
0.740
EDJ-MED-ee81482e-1
0.738
EDJ-MED-b6c6ee2b-4
0.737
MAT-POS-40ad851a-1
0.736
MAT-POS-853c0ffa-10
0.734
LUO-POS-d1147590-1
0.722
EDJ-MED-5cd3920d-2
0.711
MAT-POS-853c0ffa-13
0.706
EDJ-MED-ee81482e-4
0.703
MAT-POS-853c0ffa-11
0.691
ALP-POS-ecbed2ba-4
0.686
EDJ-MED-8bb691af-6
0.686
MIK-ENA-5d9157e9-1
0.686
MIK-ENA-5d9157e9-2
0.686
MAT-POS-38eb6498-2
0.675
ALP-POS-ecbed2ba-15
0.664
ALP-POS-ecbed2ba-8
0.661
MAT-POS-853c0ffa-15
0.635
EDJ-MED-ee81482e-5
0.632
PET-UNK-c6bcc80b-4
0.623
PET-UNK-c6bcc80b-11
0.623
MAT-POS-853c0ffa-5
0.621
MAT-POS-1d5ab790-1
0.621
EDJ-MED-4138fde9-7
0.619
ALP-POS-ecbed2ba-11
0.617
MAT-POS-853c0ffa-6
0.613
ALP-POS-ecbed2ba-2
0.612
PET-UNK-94036022-9
0.597
PET-UNK-94036022-2
0.597
MAT-POS-853c0ffa-21
0.595
PET-UNK-df7eb4e6-3
0.591
ALP-POS-133e7cd9-2
0.591
PET-UNK-df7eb4e6-7
0.591
LUO-POS-e1dab717-7
0.590
MAT-POS-853c0ffa-14
0.581
MAT-POS-853c0ffa-20
0.577
EDJ-MED-b6c6ee2b-1
0.575
MAT-POS-38eb6498-3
0.575
ALP-POS-ecbed2ba-22
0.574
ALP-POS-ecbed2ba-3
0.568
EDJ-MED-accc2c4d-3
0.568
MAT-POS-853c0ffa-12
0.564
ALP-POS-ecbed2ba-6
0.562
EDJ-MED-705e09b8-2
0.562
VLA-UNK-61877630-8
0.562
VLA-UNK-e334495f-2
0.562
EDJ-MED-accc2c4d-1
0.559
PET-UNK-143b31ee-1
0.557
PET-UNK-143b31ee-4
0.557
PET-UNK-94036022-3
0.556
PET-UNK-94036022-10
0.556
EDJ-MED-4138fde9-3
0.556
MIK-ENA-30ee93be-1
0.554
ALP-POS-ecbed2ba-1
0.546
ALP-POS-ecbed2ba-13
0.546
EDJ-MED-3707c4bc-1
0.543
EDJ-MED-5cd3920d-5
0.538
EDJ-MED-5cd3920d-6
0.538
VLA-UNK-61877630-10
0.538
EDJ-MED-3707c4bc-2
0.531
MAT-POS-853c0ffa-22
0.530
ALP-POS-ecbed2ba-17
0.527
EDJ-MED-4138fde9-8
0.523
ALP-POS-ecbed2ba-18
0.519
EDJ-MED-accc2c4d-4
0.519
MAT-POS-853c0ffa-17
0.519
MAT-POS-853c0ffa-18
0.519
EDJ-MED-4138fde9-4
0.517
MAT-POS-1bed62cf-1
0.515
LUO-POS-868e8996-9
0.515
LUO-POS-868e8996-10
0.515
ALP-POS-ecbed2ba-5
0.515
LUO-POS-e1dab717-15
0.515
MAT-POS-853c0ffa-16
0.515