Molecular Properties | |
SMILES: | CN1CC(Oc2ccc3cncc(N4CCC5(CN(S(=O)(=O)CC6(C#N)CC6)Cc6ccc(Cl)cc65)C4=O)c3c2)C1 |
MW: | 591.17 |
Fraction sp3: | 0.43 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 106.84 |
cLogP: | 3.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-12-21 |
Synthesis Location: | moonshot |
Shipped: | synthesis in progress |
Hetero_hetero
LUO-POS-d1147590-1
0.868
EDJ-MED-ee81482e-1
0.857
EDJ-MED-ee81482e-4
0.814
MIK-ENA-bb7b6957-1
0.812
EDJ-MED-b6c6ee2b-3
0.812
MIK-ENA-60569a44-1
0.812
EDJ-MED-5cd3920d-1
0.791
MAT-POS-1a788f51-2
0.765
EDJ-MED-b6c6ee2b-4
0.764
MAT-POS-1a788f51-1
0.763
EDJ-MED-4138fde9-1
0.758
LUO-POS-8484f2d3-1
0.752
MAT-POS-853c0ffa-9
0.752
MAT-POS-38eb6498-1
0.752
MIK-ENA-8063e9dc-1
0.752
LUO-POS-8484f2d3-2
0.752
MIK-ENA-7066949b-1
0.752
MAT-POS-1a788f51-3
0.748
MAT-POS-40ad851a-1
0.746
EDJ-MED-468565e0-1
0.746
MAT-POS-40ad851a-4
0.746
EDJ-MED-468565e0-5
0.746
MAT-POS-40ad851a-3
0.740
MAT-POS-40ad851a-5
0.734
MAT-POS-40ad851a-2
0.734
MAT-POS-853c0ffa-13
0.730
MAT-POS-853c0ffa-11
0.729
MAT-POS-1a788f51-4
0.728
EDJ-MED-468565e0-4
0.728
EDJ-MED-468565e0-3
0.724
EDJ-MED-ee81482e-3
0.722
EDJ-MED-5cd3920d-2
0.720
EDJ-MED-468565e0-2
0.717
MIK-ENA-5d9157e9-1
0.711
EDJ-MED-8bb691af-6
0.711
MIK-ENA-5d9157e9-2
0.711
ALP-POS-ecbed2ba-4
0.711
EDJ-MED-4138fde9-2
0.698
MAT-POS-38eb6498-2
0.697
ALP-POS-ecbed2ba-8
0.669
EDJ-MED-4138fde9-7
0.667
ALP-POS-ecbed2ba-15
0.658
PET-UNK-c6bcc80b-4
0.656
PET-UNK-c6bcc80b-11
0.656
EDJ-MED-ee81482e-5
0.651
ALP-POS-ecbed2ba-2
0.645
MAT-POS-853c0ffa-15
0.642
ALP-POS-ecbed2ba-11
0.637
MAT-POS-853c0ffa-19
0.633
MAT-POS-1d5ab790-1
0.628
MAT-POS-853c0ffa-5
0.628
MAT-POS-853c0ffa-10
0.623
MAT-POS-853c0ffa-6
0.620
PET-UNK-94036022-9
0.617
PET-UNK-94036022-2
0.617
ALP-POS-133e7cd9-2
0.610
PET-UNK-df7eb4e6-3
0.610
PET-UNK-df7eb4e6-7
0.610
MAT-POS-853c0ffa-21
0.602
MAT-POS-853c0ffa-14
0.600
MAT-POS-853c0ffa-20
0.595
MAT-POS-853c0ffa-12
0.594
ALP-POS-ecbed2ba-22
0.592
PET-UNK-143b31ee-1
0.587
PET-UNK-143b31ee-4
0.587
ALP-POS-ecbed2ba-3
0.587
ALP-POS-ecbed2ba-6
0.581
EDJ-MED-accc2c4d-1
0.577
ALP-POS-ecbed2ba-1
0.576
PET-UNK-94036022-3
0.574
PET-UNK-94036022-10
0.574
EDJ-MED-accc2c4d-3
0.574
EDJ-MED-3707c4bc-2
0.574
ALP-POS-ecbed2ba-5
0.568
EDJ-MED-705e09b8-2
0.568
VLA-UNK-61877630-8
0.567
VLA-UNK-e334495f-2
0.567
ALP-POS-ecbed2ba-13
0.563
EDJ-MED-3707c4bc-1
0.561
VLA-UNK-61877630-10
0.556
EDJ-MED-5cd3920d-5
0.556
EDJ-MED-5cd3920d-6
0.556
EDJ-MED-4138fde9-8
0.540
MAT-POS-1bed62cf-1
0.531
LUO-POS-868e8996-9
0.531
LUO-POS-868e8996-10
0.531
EDJ-MED-4138fde9-9
0.527
EDJ-MED-accc2c4d-4
0.524
ALP-POS-ecbed2ba-9
0.523
ALP-POS-c3a90b22-7
0.523
MAT-POS-853c0ffa-22
0.523
VLA-UNK-61877630-7
0.523
VLA-UNK-e334495f-1
0.523
EDJ-MED-7587a9ee-3
0.521
LUO-POS-ed2cfb03-2
0.520
LUO-POS-f7b1afe6-1
0.520
ALP-POS-01611061-2
0.520
EDJ-MED-b6c6ee2b-2
0.519
ALP-POS-ecbed2ba-17
0.519
MIK-ENA-99706bb8-1
0.519