Molecule Details
| Molecular Properties | |
| SMILES: | CNCCOc1ccc2cncc(N3CCC4(CN(S(=O)(=O)CC5(C#N)CC5)Cc5ccc(Cl)cc54)C3=O)c2c1 |
| MW: | 579.17 |
| Fraction sp3: | 0.41 |
| HBA: | 7 |
| HBD: | 1 |
| Rotatable Bonds: | 8 |
| TPSA: | 115.63 |
| cLogP: | 3.61 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-11 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Aliphatic long chain
Hetero_hetero
MAT-POS-1a788f51-3
0.878
MAT-POS-1a788f51-4
0.871
MAT-POS-1a788f51-2
0.851
MAT-POS-1a788f51-1
0.850
MIK-ENA-7066949b-1
0.836
MAT-POS-38eb6498-1
0.836
MAT-POS-853c0ffa-9
0.836
MIK-ENA-8063e9dc-1
0.836
LUO-POS-8484f2d3-1
0.836
LUO-POS-8484f2d3-2
0.836
EDJ-MED-4138fde9-2
0.833
MAT-POS-40ad851a-4
0.829
MAT-POS-40ad851a-3
0.822
MAT-POS-40ad851a-2
0.815
EDJ-MED-468565e0-1
0.814
EDJ-MED-468565e0-5
0.814
EDJ-MED-b6c6ee2b-3
0.805
MIK-ENA-60569a44-1
0.805
MIK-ENA-bb7b6957-1
0.805
MAT-POS-40ad851a-5
0.800
EDJ-MED-468565e0-4
0.793
EDJ-MED-468565e0-2
0.780
EDJ-MED-468565e0-3
0.774
EDJ-MED-ee81482e-3
0.772
EDJ-MED-5cd3920d-1
0.769
EDJ-MED-ee81482e-2
0.758
EDJ-MED-b6c6ee2b-4
0.757
EDJ-MED-ee81482e-1
0.756
LUO-POS-d1147590-1
0.754
MAT-POS-40ad851a-1
0.754
EDJ-MED-5cd3920d-2
0.729
MAT-POS-853c0ffa-13
0.724
EDJ-MED-ee81482e-4
0.720
MAT-POS-38eb6498-2
0.719
MAT-POS-853c0ffa-11
0.708
MAT-POS-853c0ffa-19
0.707
MAT-POS-853c0ffa-10
0.696
EDJ-MED-8bb691af-6
0.690
MIK-ENA-5d9157e9-1
0.690
MIK-ENA-5d9157e9-2
0.690
ALP-POS-ecbed2ba-4
0.690
EDJ-MED-4138fde9-3
0.683
PET-UNK-c6bcc80b-11
0.664
PET-UNK-c6bcc80b-4
0.664
ALP-POS-ecbed2ba-8
0.650
EDJ-MED-ee81482e-5
0.646
ALP-POS-ecbed2ba-15
0.639
MAT-POS-853c0ffa-15
0.637
MAT-POS-853c0ffa-6
0.628
MAT-POS-853c0ffa-5
0.623
MAT-POS-1d5ab790-1
0.623
EDJ-MED-4138fde9-7
0.621
ALP-POS-ecbed2ba-11
0.619
ALP-POS-ecbed2ba-2
0.614
PET-UNK-df7eb4e6-3
0.605
PET-UNK-df7eb4e6-7
0.605
PET-UNK-94036022-9
0.598
PET-UNK-94036022-2
0.598
MAT-POS-853c0ffa-21
0.597
MAT-POS-853c0ffa-14
0.595
ALP-POS-133e7cd9-2
0.592
EDJ-MED-4138fde9-4
0.584
LUO-POS-e1dab717-7
0.579
MAT-POS-853c0ffa-20
0.578
MAT-POS-853c0ffa-12
0.577
ALP-POS-ecbed2ba-3
0.569
MAT-POS-38eb6498-3
0.564
EDJ-MED-b6c6ee2b-1
0.564
EDJ-MED-4138fde9-5
0.564
ALP-POS-ecbed2ba-6
0.563
EDJ-MED-705e09b8-2
0.563
ALP-POS-ecbed2ba-22
0.562
VLA-UNK-61877630-8
0.562
VLA-UNK-e334495f-2
0.562
EDJ-MED-accc2c4d-1
0.560
PET-UNK-143b31ee-4
0.558
PET-UNK-143b31ee-1
0.558
EDJ-MED-accc2c4d-3
0.556
PET-UNK-94036022-3
0.556
PET-UNK-94036022-10
0.556
MIK-ENA-26b331e0-1
0.549
ALP-POS-ecbed2ba-1
0.547
ALP-POS-ecbed2ba-13
0.547
EDJ-MED-3707c4bc-1
0.544
MIK-ENA-30ee93be-1
0.543
VLA-UNK-61877630-10
0.539
EDJ-MED-5cd3920d-5
0.539
EDJ-MED-5cd3920d-6
0.539
EDJ-MED-3707c4bc-2
0.532
LUO-POS-e1dab717-5
0.531
LUO-POS-ed2cfb03-2
0.528
EDJ-MED-b6c6ee2b-2
0.527
MAT-POS-853c0ffa-8
0.523
EDJ-MED-accc2c4d-4
0.520
MAT-POS-853c0ffa-18
0.519
ALP-POS-c3a90b22-7
0.519
MAT-POS-853c0ffa-22
0.519
LUO-POS-868e8996-9
0.515
MAT-POS-1bed62cf-1
0.515
LUO-POS-868e8996-10
0.515