Molecular Properties | |
SMILES: | CCN(C)CCOc1ccc2cncc(N3CCC4(CN(S(=O)(=O)CC5(C#N)CC5)Cc5ccc(Cl)cc54)C3=O)c2c1 |
MW: | 607.2 |
Fraction sp3: | 0.45 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 9 |
TPSA: | 106.84 |
cLogP: | 4.34 |
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-3
0.888
MIK-ENA-8063e9dc-1
0.887
MAT-POS-853c0ffa-9
0.887
MAT-POS-38eb6498-1
0.887
LUO-POS-8484f2d3-1
0.887
LUO-POS-8484f2d3-2
0.887
MIK-ENA-7066949b-1
0.887
MAT-POS-40ad851a-4
0.847
MAT-POS-1a788f51-2
0.822
MAT-POS-1a788f51-1
0.821
EDJ-MED-4138fde9-1
0.815
MAT-POS-1a788f51-3
0.789
EDJ-MED-468565e0-1
0.787
EDJ-MED-468565e0-5
0.787
MAT-POS-1a788f51-4
0.782
MIK-ENA-bb7b6957-1
0.778
MIK-ENA-60569a44-1
0.778
EDJ-MED-b6c6ee2b-3
0.778
EDJ-MED-ee81482e-3
0.776
MAT-POS-40ad851a-5
0.774
EDJ-MED-468565e0-4
0.768
EDJ-MED-468565e0-2
0.756
MAT-POS-853c0ffa-19
0.754
EDJ-MED-4138fde9-2
0.750
EDJ-MED-468565e0-3
0.750
MAT-POS-40ad851a-1
0.744
EDJ-MED-5cd3920d-1
0.744
MAT-POS-853c0ffa-10
0.742
EDJ-MED-ee81482e-2
0.734
EDJ-MED-ee81482e-1
0.732
EDJ-MED-b6c6ee2b-4
0.730
LUO-POS-d1147590-1
0.717
EDJ-MED-5cd3920d-2
0.705
MAT-POS-853c0ffa-13
0.700
EDJ-MED-ee81482e-4
0.698
ALP-POS-ecbed2ba-4
0.695
EDJ-MED-8bb691af-6
0.695
MIK-ENA-5d9157e9-1
0.695
MIK-ENA-5d9157e9-2
0.695
MAT-POS-853c0ffa-11
0.685
MAT-POS-38eb6498-2
0.669
ALP-POS-ecbed2ba-15
0.659
ALP-POS-ecbed2ba-8
0.656
MAT-POS-853c0ffa-15
0.630
EDJ-MED-4138fde9-7
0.627
EDJ-MED-ee81482e-5
0.627
ALP-POS-ecbed2ba-11
0.625
MAT-POS-853c0ffa-6
0.621
ALP-POS-ecbed2ba-2
0.620
PET-UNK-c6bcc80b-4
0.618
PET-UNK-c6bcc80b-11
0.618
PET-UNK-94036022-9
0.605
PET-UNK-94036022-2
0.605
MAT-POS-853c0ffa-5
0.603
MAT-POS-1d5ab790-1
0.603
ALP-POS-133e7cd9-2
0.598
LUO-POS-e1dab717-7
0.597
MAT-POS-853c0ffa-21
0.591
PET-UNK-df7eb4e6-3
0.586
PET-UNK-df7eb4e6-7
0.586
EDJ-MED-b6c6ee2b-1
0.582
MAT-POS-38eb6498-3
0.582
ALP-POS-ecbed2ba-22
0.581
MAT-POS-853c0ffa-14
0.577
ALP-POS-ecbed2ba-3
0.576
PET-UNK-94036022-3
0.576
PET-UNK-94036022-10
0.576
MAT-POS-853c0ffa-20
0.573
ALP-POS-ecbed2ba-6
0.570
VLA-UNK-61877630-8
0.569
VLA-UNK-e334495f-2
0.569
EDJ-MED-accc2c4d-1
0.567
EDJ-MED-accc2c4d-3
0.563
MIK-ENA-30ee93be-1
0.561
MAT-POS-853c0ffa-12
0.560
EDJ-MED-705e09b8-2
0.558
EDJ-MED-5cd3920d-6
0.558
VLA-UNK-61877630-10
0.558
ALP-POS-ecbed2ba-1
0.554
ALP-POS-ecbed2ba-13
0.554
PET-UNK-143b31ee-1
0.553
PET-UNK-143b31ee-4
0.553
EDJ-MED-4138fde9-3
0.551
EDJ-MED-3707c4bc-1
0.551
EDJ-MED-5cd3920d-5
0.546
EDJ-MED-3707c4bc-2
0.539
ALP-POS-ecbed2ba-17
0.534
EDJ-MED-4138fde9-8
0.531
ALP-POS-ecbed2ba-18
0.527
EDJ-MED-accc2c4d-4
0.527
MAT-POS-853c0ffa-18
0.527
MAT-POS-853c0ffa-22
0.526
ALP-POS-ecbed2ba-5
0.523
MAT-POS-853c0ffa-8
0.519
ALP-POS-c3a90b22-7
0.515
VLA-UNK-e334495f-1
0.515
VLA-UNK-61877630-7
0.515
EDJ-MED-4138fde9-4
0.514
EDJ-MED-7587a9ee-3
0.512
LUO-POS-ed2cfb03-2
0.512