Molecule Details
| Molecular Properties | |
| SMILES: | CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
| MW: | 441.09 |
| Fraction sp3: | 0.27 |
| HBA: | 4 |
| HBD: | 0 |
| Rotatable Bonds: | 2 |
| TPSA: | 70.58 |
| cLogP: | 3.34 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-04-09 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Hetero_hetero
EDJ-MED-7587a9ee-2
0.839
LUO-POS-ed2cfb03-2
0.809
ALP-POS-ecbed2ba-20
0.798
ALP-POS-ecbed2ba-3
0.785
LUO-POS-ed2cfb03-1
0.774
ALP-POS-ecbed2ba-18
0.766
EDJ-MED-3707c4bc-1
0.766
EDJ-MED-3707c4bc-2
0.766
ALP-POS-ecbed2ba-10
0.750
PET-UNK-94036022-3
0.747
EDJ-MED-accc2c4d-3
0.747
EDJ-MED-accc2c4d-4
0.747
PET-UNK-94036022-10
0.747
ALP-POS-ecbed2ba-19
0.742
ALP-POS-ecbed2ba-6
0.735
ALP-POS-ecbed2ba-17
0.735
EDJ-MED-5cd3920d-5
0.735
PET-UNK-94036022-9
0.732
EDJ-MED-4138fde9-8
0.732
EDJ-MED-accc2c4d-1
0.732
PET-UNK-94036022-2
0.732
ALP-POS-ecbed2ba-1
0.727
ALP-POS-ecbed2ba-13
0.727
ALP-POS-ecbed2ba-4
0.724
EDJ-MED-8bb691af-6
0.724
MIK-ENA-5d9157e9-2
0.724
EDJ-MED-accc2c4d-2
0.724
ALP-POS-ecbed2ba-9
0.724
MIK-ENA-5d9157e9-1
0.724
ALP-POS-ecbed2ba-21
0.720
EDJ-MED-5cd3920d-6
0.717
VLA-UNK-61877630-10
0.717
ALP-POS-ecbed2ba-5
0.717
ALP-POS-ecbed2ba-16
0.713
ALP-POS-ecbed2ba-8
0.710
EDJ-MED-4138fde9-9
0.710
EDJ-MED-4138fde9-7
0.706
ALP-POS-ecbed2ba-22
0.696
ALP-POS-ecbed2ba-15
0.696
LUO-POS-e1dab717-19
0.684
EDJ-MED-40e596c8-1
0.684
LUO-POS-868e8996-11
0.670
LUO-POS-868e8996-12
0.670
MAT-POS-c7726e07-6
0.670
EDJ-MED-8bb691af-4
0.670
MAT-POS-c7726e07-5
0.670
ALP-POS-ecbed2ba-11
0.670
MAT-POS-69786b79-1
0.667
LUO-POS-e1dab717-1
0.667
MAT-POS-576f7758-1
0.667
MAT-POS-566864e2-3
0.667
ALP-POS-ecbed2ba-7
0.667
MAT-POS-566864e2-4
0.667
ALP-POS-ecbed2ba-2
0.664
VLA-UNK-3bd6fc51-1
0.660
EDJ-MED-6b23330e-6
0.644
ALP-POS-c3a90b22-6
0.644
PET-UNK-7e9559de-4
0.641
MAT-POS-96396902-1
0.641
EDJ-MED-6b23330e-2
0.641
EDJ-MED-6b23330e-5
0.641
MAT-POS-e75f6e44-4
0.641
EDJ-MED-6b23330e-7
0.641
ALP-POS-c3a90b22-7
0.641
PET-UNK-7e9559de-1
0.641
MAT-POS-69786b79-3
0.637
EDJ-MED-cc48ee33-3
0.637
ALP-POS-c3a90b22-2
0.637
EDJ-MED-40e596c8-2
0.635
EDJ-MED-6b23330e-4
0.635
ALP-POS-ecbed2ba-14
0.631
MIK-ENA-4a1c9a78-1
0.631
EDJ-MED-cc48ee33-4
0.631
MIK-ENA-1494235a-1
0.631
MIK-ENA-4ed700b1-1
0.631
BRU-THA-ae0174a8-1
0.631
EDJ-MED-6b23330e-1
0.625
ALP-POS-133e7cd9-2
0.623
EDJ-MED-7587a9ee-4
0.620
MAT-POS-e75f6e44-7
0.619
ALP-POS-c3a90b22-4
0.619
EDJ-MED-cc48ee33-5
0.619
MAT-POS-566864e2-2
0.615
MAT-POS-69786b79-2
0.615
MAT-POS-566864e2-1
0.615
MAT-POS-e75f6e44-1
0.615
MAT-POS-e75f6e44-5
0.615
ALP-POS-ecbed2ba-12
0.615
MAT-POS-e75f6e44-6
0.613
MAT-POS-e75f6e44-19
0.613
MAT-POS-e75f6e44-3
0.610
MAT-POS-e75f6e44-2
0.610
EDJ-MED-33064c06-16
0.607
MAT-POS-e75f6e44-10
0.607
MAT-POS-853c0ffa-22
0.607
EDJ-MED-6b23330e-3
0.606
MAT-POS-e75f6e44-17
0.604
ALP-POS-c3a90b22-10
0.602
MAT-POS-be048f2c-6
0.602
MAT-POS-be048f2c-5
0.602