Molecule Details
| Molecular Properties | |
| SMILES: | CN1CCCC1COc1ccc2cncc(N3CCC4(CN(S(=O)(=O)CC5(C#N)CC5)Cc5ccc(Cl)cc54)C3=O)c2c1 |
| MW: | 619.2 |
| Fraction sp3: | 0.47 |
| HBA: | 7 |
| HBD: | 0 |
| Rotatable Bonds: | 7 |
| TPSA: | 106.84 |
| cLogP: | 4.49 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-12-21 |
| Synthesis Location: | moonshot |
| Shipped: | synthesis in progress |
Hetero_hetero
MAT-POS-853c0ffa-9
MAT-POS-1a788f51-2
0.774
EDJ-MED-468565e0-1
0.770
MIK-ENA-60569a44-1
0.760
MIK-ENA-bb7b6957-1
0.760
EDJ-MED-b6c6ee2b-3
0.760
MAT-POS-1a788f51-1
0.758
EDJ-MED-468565e0-5
0.756
EDJ-MED-4138fde9-1
0.754
LUO-POS-8484f2d3-1
0.748
MAT-POS-853c0ffa-9
0.748
MAT-POS-38eb6498-1
0.748
MIK-ENA-8063e9dc-1
0.748
LUO-POS-8484f2d3-2
0.748
MIK-ENA-7066949b-1
0.748
EDJ-MED-ee81482e-2
0.746
MAT-POS-1a788f51-3
0.744
MAT-POS-40ad851a-2
0.744
MAT-POS-40ad851a-5
0.744
LUO-POS-d1147590-1
0.742
MAT-POS-40ad851a-4
0.742
EDJ-MED-468565e0-4
0.738
MAT-POS-40ad851a-3
0.736
EDJ-MED-468565e0-3
0.735
EDJ-MED-468565e0-2
0.727
MAT-POS-1a788f51-4
0.725
EDJ-MED-ee81482e-3
0.720
EDJ-MED-ee81482e-1
0.717
EDJ-MED-5cd3920d-1
0.714
EDJ-MED-b6c6ee2b-4
0.700
EDJ-MED-ee81482e-4
0.697
EDJ-MED-4138fde9-2
0.696
EDJ-MED-5cd3920d-2
0.677
MAT-POS-853c0ffa-13
0.672
MAT-POS-38eb6498-2
0.669
MAT-POS-853c0ffa-11
0.659
ALP-POS-ecbed2ba-4
0.640
MIK-ENA-5d9157e9-1
0.640
EDJ-MED-8bb691af-6
0.640
MIK-ENA-5d9157e9-2
0.640
MAT-POS-853c0ffa-10
0.637
MAT-POS-853c0ffa-19
0.634
PET-UNK-c6bcc80b-4
0.619
PET-UNK-c6bcc80b-11
0.619
ALP-POS-ecbed2ba-8
0.617
EDJ-MED-ee81482e-5
0.616
ALP-POS-ecbed2ba-15
0.608
EDJ-MED-4138fde9-7
0.603
MAT-POS-853c0ffa-15
0.594
MAT-POS-1d5ab790-1
0.592
MAT-POS-853c0ffa-5
0.592
ALP-POS-ecbed2ba-2
0.585
MAT-POS-853c0ffa-6
0.585
ALP-POS-ecbed2ba-11
0.578
PET-UNK-94036022-9
0.569
PET-UNK-94036022-2
0.569
MAT-POS-853c0ffa-14
0.567
ALP-POS-133e7cd9-2
0.564
PET-UNK-df7eb4e6-3
0.564
PET-UNK-df7eb4e6-7
0.564
MAT-POS-853c0ffa-21
0.556
MAT-POS-853c0ffa-12
0.551
MAT-POS-853c0ffa-20
0.540
ALP-POS-ecbed2ba-6
0.537
EDJ-MED-705e09b8-2
0.537
ALP-POS-ecbed2ba-22
0.537
ALP-POS-ecbed2ba-3
0.530
VLA-UNK-61877630-8
0.526
VLA-UNK-e334495f-2
0.526
EDJ-MED-accc2c4d-1
0.522
ALP-POS-ecbed2ba-1
0.522
PET-UNK-143b31ee-1
0.522
PET-UNK-143b31ee-4
0.522
EDJ-MED-accc2c4d-3
0.519
PET-UNK-94036022-3
0.519
PET-UNK-94036022-10
0.519
VLA-UNK-61877630-10
0.515
EDJ-MED-5cd3920d-6
0.515
ALP-POS-ecbed2ba-13
0.511
EDJ-MED-4138fde9-3
0.510
EDJ-MED-3707c4bc-1
0.507
ALP-POS-ecbed2ba-5
0.504
EDJ-MED-5cd3920d-5
0.504
MAT-POS-853c0ffa-7
0.500
MAT-POS-853c0ffa-8
0.500
LUO-POS-e1dab717-7
0.500
EDJ-MED-3707c4bc-2
0.496
MAT-POS-853c0ffa-16
0.493
EDJ-MED-4138fde9-8
0.489
MAT-POS-38eb6498-3
0.486
EDJ-MED-b6c6ee2b-1
0.486
MAT-POS-853c0ffa-22
0.486
LUO-POS-e1dab717-5
0.486
MAT-POS-853c0ffa-17
0.486
EDJ-MED-accc2c4d-2
0.486
MAT-POS-853c0ffa-18
0.486
EDJ-MED-accc2c4d-4
0.485
MAT-POS-1bed62cf-1
0.482
EDJ-MED-b6c6ee2b-2
0.482
LUO-POS-868e8996-9
0.482
LUO-POS-868e8996-10
0.482