Molecule Details
| Molecular Properties | |
| SMILES: | CN1CCN(S(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CC1 |
| MW: | 525.16 |
| Fraction sp3: | 0.38 |
| HBA: | 5 |
| HBD: | 0 |
| Rotatable Bonds: | 3 |
| TPSA: | 77.06 |
| cLogP: | 2.87 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-12-21 |
| Synthesis Location: | moonshot |
| Shipped: | synthesis in progress |
Hetero_hetero
ALP-POS-ecbed2ba-20
0.856
EDJ-MED-7587a9ee-3
0.774
ALP-POS-ecbed2ba-10
0.768
LUO-POS-ed2cfb03-2
0.750
ALP-POS-ecbed2ba-9
0.743
EDJ-MED-accc2c4d-3
0.713
EDJ-MED-accc2c4d-4
0.713
EDJ-MED-3707c4bc-1
0.713
EDJ-MED-3707c4bc-2
0.713
ALP-POS-ecbed2ba-3
0.713
ALP-POS-ecbed2ba-18
0.713
PET-UNK-94036022-10
0.696
PET-UNK-94036022-3
0.696
ALP-POS-ecbed2ba-1
0.695
ALP-POS-ecbed2ba-19
0.692
EDJ-MED-4138fde9-7
0.692
ALP-POS-ecbed2ba-5
0.686
ALP-POS-ecbed2ba-17
0.686
ALP-POS-ecbed2ba-6
0.686
PET-UNK-94036022-2
0.683
PET-UNK-94036022-9
0.683
EDJ-MED-4138fde9-8
0.683
EDJ-MED-accc2c4d-1
0.683
ALP-POS-ecbed2ba-22
0.682
EDJ-MED-4138fde9-9
0.679
ALP-POS-ecbed2ba-13
0.679
EDJ-MED-8bb691af-6
0.676
ALP-POS-ecbed2ba-4
0.676
MIK-ENA-5d9157e9-2
0.676
EDJ-MED-accc2c4d-2
0.676
MIK-ENA-5d9157e9-1
0.676
ALP-POS-ecbed2ba-21
0.673
VLA-UNK-61877630-10
0.670
EDJ-MED-5cd3920d-5
0.670
EDJ-MED-5cd3920d-6
0.670
ALP-POS-ecbed2ba-16
0.667
ALP-POS-ecbed2ba-8
0.664
EDJ-MED-7587a9ee-2
0.653
ALP-POS-ecbed2ba-15
0.651
ALP-POS-ecbed2ba-11
0.643
EDJ-MED-40e596c8-1
0.638
LUO-POS-e1dab717-19
0.637
ALP-POS-ecbed2ba-2
0.637
ALP-POS-c3a90b22-6
0.632
EDJ-MED-8bb691af-4
0.625
LUO-POS-868e8996-11
0.625
MAT-POS-c7726e07-5
0.625
LUO-POS-868e8996-12
0.625
MAT-POS-c7726e07-6
0.625
LUO-POS-e1dab717-1
0.623
MAT-POS-566864e2-4
0.623
MAT-POS-566864e2-3
0.623
MAT-POS-576f7758-1
0.623
MAT-POS-69786b79-1
0.623
ALP-POS-ecbed2ba-7
0.623
VLA-UNK-3bd6fc51-1
0.615
MAT-POS-69786b79-3
0.611
EDJ-MED-cc48ee33-3
0.611
EDJ-MED-cc48ee33-4
0.606
ALP-POS-c3a90b22-7
0.600
ALP-POS-c3a90b22-2
0.596
EDJ-MED-40e596c8-2
0.595
MAT-POS-e75f6e44-7
0.595
EDJ-MED-cc48ee33-5
0.595
MIK-ENA-1494235a-1
0.591
MIK-ENA-4ed700b1-1
0.591
MAT-POS-e75f6e44-1
0.591
MAT-POS-e75f6e44-5
0.591
MIK-ENA-4a1c9a78-1
0.591
ALP-POS-ecbed2ba-14
0.591
MAT-POS-e75f6e44-16
0.588
EDJ-MED-6b23330e-2
0.586
EDJ-MED-6b23330e-5
0.586
MAT-POS-e75f6e44-4
0.586
EDJ-MED-6b23330e-7
0.586
EDJ-MED-6b23330e-1
0.586
EDJ-MED-40e596c8-3
0.584
ALP-POS-c3a90b22-4
0.580
EDJ-MED-6b23330e-4
0.580
ALP-POS-c3a90b22-10
0.579
BRU-THA-ae0174a8-1
0.577
ALP-POS-ecbed2ba-12
0.577
MAT-POS-69786b79-2
0.577
MAT-POS-566864e2-1
0.577
MAT-POS-566864e2-2
0.577
MAT-POS-e75f6e44-6
0.575
MAT-POS-e75f6e44-19
0.575
EDJ-MED-6b23330e-6
0.575
MAT-POS-be048f2c-8
0.574
MAT-POS-e75f6e44-2
0.571
PET-UNK-7e9559de-1
0.571
PET-UNK-7e9559de-4
0.571
MAT-POS-96396902-1
0.571
MAT-POS-e75f6e44-3
0.571
EDJ-MED-33064c06-16
0.570
MAT-POS-e75f6e44-10
0.570
ALP-POS-133e7cd9-2
0.570
MAT-POS-e75f6e44-17
0.566
MAT-POS-e75f6e44-18
0.565
MAT-POS-e75f6e44-20
0.565