Molecule Details
| Molecular Properties | |
| SMILES: | O=C1N(c2cncc3ccccc23)CCC12CN(S(=O)(=O)CC1COC1)Cc1ccc(Cl)cc12 |
| MW: | 497.12 |
| Fraction sp3: | 0.36 |
| HBA: | 5 |
| HBD: | 0 |
| Rotatable Bonds: | 4 |
| TPSA: | 79.81 |
| cLogP: | 3.35 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-11 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Oxetanes, thietanes
Hetero_hetero
ALP-POS-ecbed2ba-5
0.837
EDJ-MED-4138fde9-9
0.828
EDJ-MED-accc2c4d-3
0.760
EDJ-MED-3707c4bc-1
0.760
ALP-POS-ecbed2ba-3
0.760
PET-UNK-94036022-3
0.760
PET-UNK-94036022-10
0.760
EDJ-MED-3707c4bc-2
0.760
PET-UNK-94036022-2
0.745
PET-UNK-94036022-9
0.745
EDJ-MED-accc2c4d-1
0.745
ALP-POS-ecbed2ba-13
0.740
ALP-POS-ecbed2ba-4
0.738
EDJ-MED-8bb691af-6
0.738
MIK-ENA-5d9157e9-1
0.738
MIK-ENA-5d9157e9-2
0.738
EDJ-MED-7587a9ee-3
0.732
ALP-POS-ecbed2ba-6
0.731
VLA-UNK-61877630-10
0.731
EDJ-MED-5cd3920d-5
0.731
EDJ-MED-5cd3920d-6
0.731
ALP-POS-ecbed2ba-8
0.724
ALP-POS-ecbed2ba-1
0.724
ALP-POS-ecbed2ba-20
0.717
ALP-POS-ecbed2ba-11
0.716
ALP-POS-ecbed2ba-15
0.710
ALP-POS-ecbed2ba-22
0.710
LUO-POS-ed2cfb03-2
0.710
EDJ-MED-4138fde9-7
0.704
ALP-POS-ecbed2ba-18
0.692
LUO-POS-ed2cfb03-1
0.683
ALP-POS-ecbed2ba-10
0.679
ALP-POS-ecbed2ba-2
0.679
EDJ-MED-accc2c4d-4
0.676
ALP-POS-ecbed2ba-9
0.673
ALP-POS-ecbed2ba-19
0.673
ALP-POS-ecbed2ba-17
0.667
EDJ-MED-accc2c4d-2
0.657
MAT-POS-e75f6e44-14
0.655
ALP-POS-ecbed2ba-21
0.655
ALP-POS-ecbed2ba-16
0.649
ALP-POS-133e7cd9-2
0.640
EDJ-MED-7587a9ee-2
0.635
LUO-POS-e1dab717-19
0.635
VLA-UNK-3bd6fc51-1
0.629
EDJ-MED-40e596c8-2
0.622
EDJ-MED-40e596c8-1
0.620
LUO-POS-868e8996-11
0.607
EDJ-MED-8bb691af-4
0.607
LUO-POS-868e8996-12
0.607
MAT-POS-c7726e07-6
0.607
MAT-POS-c7726e07-5
0.607
ALP-POS-ecbed2ba-12
0.604
MAT-POS-69786b79-2
0.604
MAT-POS-566864e2-1
0.604
MAT-POS-566864e2-2
0.604
EDJ-MED-6b23330e-1
0.598
ALP-POS-c3a90b22-7
0.598
MAT-POS-853c0ffa-22
0.596
MAT-POS-566864e2-4
0.591
MAT-POS-566864e2-3
0.591
MAT-POS-576f7758-1
0.591
LUO-POS-e1dab717-1
0.591
ALP-POS-ecbed2ba-7
0.591
MAT-POS-69786b79-1
0.591
EDJ-MED-b6c6ee2b-4
0.589
MAT-POS-e75f6e44-5
0.589
MAT-POS-853c0ffa-21
0.588
MAT-POS-e75f6e44-13
0.588
ALP-POS-c3a90b22-6
0.586
EDJ-MED-6b23330e-5
0.584
MAT-POS-e75f6e44-4
0.584
MAT-POS-69786b79-3
0.580
EDJ-MED-cc48ee33-3
0.580
ALP-POS-c3a90b22-4
0.579
VLA-UNK-61877630-8
0.578
VLA-UNK-e334495f-2
0.578
EDJ-MED-59d5ca70-2
0.578
MAT-POS-e75f6e44-18
0.578
MAT-POS-e75f6e44-20
0.578
MIK-ENA-1494235a-1
0.575
MIK-ENA-4ed700b1-1
0.575
BRU-THA-ae0174a8-1
0.575
ALP-POS-ecbed2ba-14
0.575
MIK-ENA-4a1c9a78-1
0.575
MAT-POS-e75f6e44-1
0.575
EDJ-MED-6b23330e-6
0.574
MAT-POS-be048f2c-8
0.573
MAT-POS-e75f6e44-16
0.573
MAT-POS-e75f6e44-21
0.573
EDJ-MED-6b23330e-2
0.570
PET-UNK-7e9559de-1
0.570
PET-UNK-7e9559de-4
0.570
MAT-POS-96396902-1
0.570
EDJ-MED-6b23330e-7
0.570
MAT-POS-e75f6e44-2
0.570
MAT-POS-e75f6e44-3
0.570
EDJ-MED-40e596c8-3
0.569
MIK-ENA-9eb8d9fb-1
0.568
MAT-POS-853c0ffa-20
0.568