Molecule Details
| Molecular Properties | |
| SMILES: | O=C1N(c2cncc3ccccc23)CCC12CN(S(=O)(=O)CC1CC(O)C1)Cc1ccc(Cl)cc12 |
| MW: | 511.13 |
| Fraction sp3: | 0.38 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 90.81 |
| cLogP: | 3.48 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-11 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Hetero_hetero
EDJ-MED-4138fde9-8
0.828
ALP-POS-ecbed2ba-5
0.812
EDJ-MED-accc2c4d-3
0.738
EDJ-MED-3707c4bc-1
0.738
ALP-POS-ecbed2ba-3
0.738
PET-UNK-94036022-3
0.738
PET-UNK-94036022-10
0.738
EDJ-MED-3707c4bc-2
0.738
VLA-UNK-61877630-10
0.726
EDJ-MED-5cd3920d-6
0.726
PET-UNK-94036022-2
0.724
PET-UNK-94036022-9
0.724
EDJ-MED-accc2c4d-1
0.724
ALP-POS-ecbed2ba-1
0.720
ALP-POS-ecbed2ba-4
0.717
EDJ-MED-8bb691af-6
0.717
MIK-ENA-5d9157e9-1
0.717
MIK-ENA-5d9157e9-2
0.717
ALP-POS-ecbed2ba-6
0.710
EDJ-MED-5cd3920d-5
0.710
EDJ-MED-7587a9ee-3
0.710
ALP-POS-ecbed2ba-8
0.704
ALP-POS-ecbed2ba-13
0.704
ALP-POS-ecbed2ba-20
0.696
ALP-POS-ecbed2ba-15
0.691
ALP-POS-ecbed2ba-22
0.691
LUO-POS-ed2cfb03-2
0.689
ALP-POS-ecbed2ba-18
0.689
ALP-POS-ecbed2ba-19
0.685
EDJ-MED-4138fde9-7
0.685
LUO-POS-ed2cfb03-1
0.679
ALP-POS-ecbed2ba-11
0.667
ALP-POS-ecbed2ba-21
0.667
ALP-POS-ecbed2ba-17
0.664
ALP-POS-ecbed2ba-2
0.661
ALP-POS-ecbed2ba-10
0.661
EDJ-MED-accc2c4d-4
0.657
ALP-POS-ecbed2ba-9
0.655
ALP-POS-ecbed2ba-16
0.646
EDJ-MED-accc2c4d-2
0.640
LUO-POS-e1dab717-19
0.632
ALP-POS-133e7cd9-2
0.623
EDJ-MED-7587a9ee-2
0.617
VLA-UNK-3bd6fc51-1
0.611
LUO-POS-868e8996-11
0.606
EDJ-MED-8bb691af-4
0.606
LUO-POS-868e8996-12
0.606
MAT-POS-c7726e07-6
0.606
MAT-POS-c7726e07-5
0.606
EDJ-MED-40e596c8-2
0.605
EDJ-MED-40e596c8-1
0.604
ALP-POS-ecbed2ba-12
0.602
MAT-POS-69786b79-2
0.602
MAT-POS-566864e2-1
0.602
MAT-POS-566864e2-2
0.602
MAT-POS-e75f6e44-18
0.590
MAT-POS-566864e2-4
0.589
MAT-POS-566864e2-3
0.589
MAT-POS-576f7758-1
0.589
LUO-POS-e1dab717-1
0.589
ALP-POS-ecbed2ba-7
0.589
MAT-POS-69786b79-1
0.589
MAT-POS-853c0ffa-21
0.586
MAT-POS-e75f6e44-13
0.586
ALP-POS-c3a90b22-6
0.584
EDJ-MED-6b23330e-1
0.583
EDJ-MED-6b23330e-5
0.583
MAT-POS-e75f6e44-4
0.583
ALP-POS-c3a90b22-7
0.583
MAT-POS-e75f6e44-2
0.583
MAT-POS-e75f6e44-14
0.581
EDJ-MED-40e596c8-3
0.581
MAT-POS-69786b79-3
0.579
EDJ-MED-59d5ca70-2
0.576
MAT-POS-e75f6e44-20
0.576
EDJ-MED-b6c6ee2b-4
0.574
MIK-ENA-1494235a-1
0.574
MIK-ENA-4ed700b1-1
0.574
BRU-THA-ae0174a8-1
0.574
ALP-POS-ecbed2ba-14
0.574
EDJ-MED-cc48ee33-4
0.574
MIK-ENA-4a1c9a78-1
0.574
MAT-POS-e75f6e44-1
0.574
MAT-POS-e75f6e44-5
0.574
EDJ-MED-6b23330e-6
0.573
MAT-POS-e75f6e44-19
0.573
MAT-POS-e75f6e44-16
0.571
MAT-POS-e75f6e44-21
0.571
EDJ-MED-6b23330e-2
0.569
EDJ-MED-6b23330e-7
0.569
MAT-POS-e75f6e44-3
0.569
MAT-POS-853c0ffa-22
0.568
MAT-POS-e75f6e44-11
0.568
MIK-ENA-9eb8d9fb-1
0.567
MAT-POS-853c0ffa-20
0.567
EDJ-MED-cc48ee33-3
0.565
ALP-POS-c3a90b22-2
0.565
EDJ-MED-cc48ee33-5
0.564
EDJ-MED-6b23330e-4
0.564
MAT-POS-e75f6e44-7
0.564