Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(CN6CC7(COC7)C6)cc45)C3=O)C2)CC1 |
MW: | 617.19 |
Fraction sp3: | 0.47 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 106.84 |
cLogP: | 3.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-12-21 |
Synthesis Location: | moonshot |
Shipped: | synthesis in progress |
Oxetanes, thietanes
Hetero_hetero
EDJ-MED-b6c6ee2b-4
0.743
MAT-POS-853c0ffa-13
0.712
MIK-ENA-60569a44-1
0.689
MIK-ENA-bb7b6957-1
0.689
EDJ-MED-5cd3920d-2
0.689
EDJ-MED-b6c6ee2b-3
0.689
MAT-POS-853c0ffa-11
0.683
ALP-POS-ecbed2ba-4
0.678
MIK-ENA-5d9157e9-1
0.678
EDJ-MED-8bb691af-6
0.678
MIK-ENA-5d9157e9-2
0.678
EDJ-MED-468565e0-2
0.674
EDJ-MED-5cd3920d-1
0.672
MAT-POS-38eb6498-2
0.667
MAT-POS-1a788f51-1
0.661
EDJ-MED-ee81482e-1
0.661
MAT-POS-1a788f51-2
0.651
EDJ-MED-ee81482e-2
0.651
EDJ-MED-468565e0-5
0.649
EDJ-MED-468565e0-1
0.649
MAT-POS-40ad851a-4
0.649
EDJ-MED-468565e0-4
0.647
EDJ-MED-4138fde9-1
0.646
LUO-POS-8484f2d3-1
0.641
MAT-POS-853c0ffa-9
0.641
MAT-POS-38eb6498-1
0.641
MIK-ENA-8063e9dc-1
0.641
LUO-POS-8484f2d3-2
0.641
MIK-ENA-7066949b-1
0.641
PET-UNK-c6bcc80b-4
0.641
PET-UNK-c6bcc80b-11
0.641
ALP-POS-ecbed2ba-8
0.639
MAT-POS-40ad851a-5
0.639
LUO-POS-d1147590-1
0.636
ALP-POS-ecbed2ba-11
0.635
EDJ-MED-ee81482e-4
0.632
MAT-POS-40ad851a-3
0.632
ALP-POS-ecbed2ba-15
0.629
MAT-POS-1a788f51-3
0.627
MAT-POS-40ad851a-2
0.627
MAT-POS-1a788f51-4
0.622
EDJ-MED-468565e0-3
0.620
MAT-POS-853c0ffa-6
0.618
EDJ-MED-ee81482e-3
0.618
MAT-POS-40ad851a-1
0.616
MAT-POS-853c0ffa-15
0.614
EDJ-MED-4138fde9-2
0.609
ALP-POS-ecbed2ba-2
0.605
MAT-POS-1d5ab790-1
0.600
MAT-POS-853c0ffa-5
0.600
EDJ-MED-4138fde9-7
0.598
PET-UNK-df7eb4e6-3
0.595
PET-UNK-df7eb4e6-7
0.595
PET-UNK-94036022-9
0.589
PET-UNK-94036022-2
0.589
ALP-POS-133e7cd9-2
0.583
EDJ-MED-705e09b8-2
0.579
MAT-POS-853c0ffa-21
0.575
MAT-POS-853c0ffa-14
0.562
EDJ-MED-accc2c4d-3
0.560
PET-UNK-94036022-3
0.560
PET-UNK-94036022-10
0.560
MAT-POS-853c0ffa-20
0.557
VLA-UNK-61877630-8
0.554
ALP-POS-ecbed2ba-22
0.554
VLA-UNK-e334495f-2
0.554
EDJ-MED-accc2c4d-1
0.551
ALP-POS-ecbed2ba-3
0.548
MAT-POS-853c0ffa-12
0.545
PET-UNK-143b31ee-1
0.538
PET-UNK-143b31ee-4
0.538
MAT-POS-853c0ffa-19
0.536
VLA-UNK-61877630-10
0.531
ALP-POS-ecbed2ba-6
0.531
EDJ-MED-5cd3920d-5
0.531
EDJ-MED-5cd3920d-6
0.531
MAT-POS-853c0ffa-10
0.529
EDJ-MED-4138fde9-8
0.527
ALP-POS-ecbed2ba-1
0.527
ALP-POS-ecbed2ba-13
0.527
EDJ-MED-3707c4bc-1
0.523
EDJ-MED-3707c4bc-2
0.512
ALP-POS-c3a90b22-7
0.511
LUO-POS-f7b1afe6-1
0.508
ALP-POS-01611061-2
0.508
MAT-POS-1bed62cf-1
0.508
LUO-POS-868e8996-9
0.508
LUO-POS-868e8996-10
0.508
ALP-POS-ecbed2ba-5
0.508
LUO-POS-e1dab717-3
0.504
PET-UNK-143b31ee-2
0.504
PET-UNK-143b31ee-5
0.504
MAT-POS-853c0ffa-18
0.500
EDJ-MED-accc2c4d-4
0.500
MAT-POS-853c0ffa-22
0.500
VLA-UNK-61877630-7
0.500
VLA-UNK-e334495f-1
0.500
LUO-POS-e1dab717-15
0.496
ALP-POS-01611061-3
0.496
LUO-POS-e1dab717-16
0.493