Molecule Details
| Molecular Properties | |
| SMILES: | CNS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
| MW: | 456.1 |
| Fraction sp3: | 0.27 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 82.61 |
| cLogP: | 2.84 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-12-21 |
| Synthesis Location: | moonshot |
| Shipped: | synthesis in progress |
Hetero_hetero
EDJ-MED-7587a9ee-3
0.809
ALP-POS-ecbed2ba-20
0.772
ALP-POS-ecbed2ba-18
0.760
LUO-POS-ed2cfb03-1
0.750
ALP-POS-ecbed2ba-17
0.747
ALP-POS-ecbed2ba-3
0.742
EDJ-MED-accc2c4d-3
0.742
EDJ-MED-accc2c4d-4
0.742
EDJ-MED-3707c4bc-1
0.742
EDJ-MED-3707c4bc-2
0.742
ALP-POS-ecbed2ba-19
0.737
PET-UNK-94036022-2
0.727
ALP-POS-ecbed2ba-10
0.727
PET-UNK-94036022-9
0.727
EDJ-MED-accc2c4d-1
0.727
ALP-POS-ecbed2ba-16
0.725
PET-UNK-94036022-3
0.724
PET-UNK-94036022-10
0.724
ALP-POS-ecbed2ba-13
0.723
ALP-POS-ecbed2ba-9
0.720
MIK-ENA-5d9157e9-1
0.720
ALP-POS-ecbed2ba-4
0.720
EDJ-MED-8bb691af-6
0.720
MIK-ENA-5d9157e9-2
0.720
EDJ-MED-accc2c4d-2
0.720
ALP-POS-ecbed2ba-21
0.716
EDJ-MED-40e596c8-1
0.714
ALP-POS-ecbed2ba-6
0.713
EDJ-MED-5cd3920d-5
0.713
EDJ-MED-4138fde9-8
0.710
ALP-POS-ecbed2ba-1
0.706
ALP-POS-ecbed2ba-8
0.706
EDJ-MED-4138fde9-7
0.702
ALP-POS-ecbed2ba-5
0.696
EDJ-MED-5cd3920d-6
0.696
VLA-UNK-61877630-10
0.696
ALP-POS-ecbed2ba-15
0.692
ALP-POS-ecbed2ba-22
0.692
EDJ-MED-4138fde9-9
0.689
MAT-POS-c7726e07-5
0.684
LUO-POS-868e8996-11
0.684
LUO-POS-868e8996-12
0.684
MAT-POS-c7726e07-6
0.684
EDJ-MED-8bb691af-4
0.684
EDJ-MED-7587a9ee-2
0.680
ALP-POS-ecbed2ba-7
0.680
MAT-POS-566864e2-4
0.680
MAT-POS-69786b79-1
0.680
LUO-POS-e1dab717-1
0.680
MAT-POS-576f7758-1
0.680
MAT-POS-566864e2-3
0.680
ALP-POS-ecbed2ba-11
0.667
LUO-POS-e1dab717-19
0.663
ALP-POS-ecbed2ba-2
0.661
ALP-POS-c3a90b22-6
0.657
ALP-POS-c3a90b22-2
0.650
MIK-ENA-1494235a-1
0.644
MIK-ENA-4ed700b1-1
0.644
ALP-POS-ecbed2ba-14
0.644
MIK-ENA-4a1c9a78-1
0.644
VLA-UNK-3bd6fc51-1
0.640
EDJ-MED-6b23330e-2
0.638
EDJ-MED-6b23330e-7
0.638
ALP-POS-c3a90b22-7
0.638
MAT-POS-69786b79-3
0.635
EDJ-MED-40e596c8-2
0.632
EDJ-MED-6b23330e-4
0.632
ALP-POS-c3a90b22-4
0.632
BRU-THA-ae0174a8-1
0.629
MAT-POS-e75f6e44-1
0.629
MAT-POS-e75f6e44-5
0.629
EDJ-MED-6b23330e-6
0.626
MAT-POS-e75f6e44-6
0.626
EDJ-MED-6b23330e-1
0.623
EDJ-MED-6b23330e-5
0.623
MAT-POS-e75f6e44-4
0.623
EDJ-MED-cc48ee33-3
0.619
EDJ-MED-6b23330e-3
0.618
MAT-POS-e75f6e44-7
0.617
MAT-POS-e75f6e44-17
0.617
ALP-POS-c3a90b22-10
0.615
ALP-POS-ecbed2ba-12
0.613
EDJ-MED-cc48ee33-4
0.613
MAT-POS-566864e2-2
0.613
MAT-POS-69786b79-2
0.613
MAT-POS-566864e2-1
0.613
MAT-POS-69786b79-4
0.611
MAT-POS-e75f6e44-19
0.611
MAT-POS-e75f6e44-3
0.607
MAT-POS-e75f6e44-2
0.607
ALP-POS-133e7cd9-2
0.606
EDJ-MED-33064c06-16
0.606
MAT-POS-e75f6e44-10
0.606
MAT-POS-e75f6e44-11
0.606
EDJ-MED-cc48ee33-5
0.602
MAT-POS-e75f6e44-12
0.596
MAT-POS-e75f6e44-13
0.596
MAT-POS-e75f6e44-15
0.596
MAT-POS-e75f6e44-8
0.595
MAT-POS-e75f6e44-9
0.595