Molecule Details
| Molecular Properties | |
| SMILES: | O=C(CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1)NCC1CS(=O)(=O)C1 |
| MW: | 538.14 |
| Fraction sp3: | 0.37 |
| HBA: | 6 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 99.68 |
| cLogP: | 2.54 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-22 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Oxetanes, thietanes
ALP-POS-ecbed2ba-12
ALP-POS-ecbed2ba-12
0.867
MAT-POS-566864e2-2
0.867
MAT-POS-566864e2-1
0.867
MAT-POS-e75f6e44-13
0.842
MAT-POS-e75f6e44-16
0.835
MAT-POS-e75f6e44-14
0.833
MAT-POS-e75f6e44-18
0.825
MAT-POS-e75f6e44-21
0.817
EDJ-MED-8bb691af-4
0.770
LUO-POS-868e8996-11
0.770
MAT-POS-c7726e07-5
0.770
LUO-POS-868e8996-12
0.770
MAT-POS-c7726e07-6
0.770
EDJ-MED-6b23330e-1
0.769
MAT-POS-e75f6e44-7
0.762
ALP-POS-ecbed2ba-14
0.760
MAT-POS-e75f6e44-1
0.760
MAT-POS-e75f6e44-5
0.760
BRU-THA-ae0174a8-1
0.760
EDJ-MED-6b23330e-6
0.755
EDJ-MED-6b23330e-2
0.752
MAT-POS-e75f6e44-4
0.752
MAT-POS-e75f6e44-2
0.752
EDJ-MED-6b23330e-5
0.752
EDJ-MED-6b23330e-7
0.752
LUO-POS-e1dab717-19
0.750
MAT-POS-69786b79-3
0.750
EDJ-MED-6b23330e-4
0.745
MAT-POS-e75f6e44-17
0.745
MIK-ENA-9eb8d9fb-1
0.743
MAT-POS-69786b79-2
0.743
MAT-POS-e75f6e44-6
0.738
MAT-POS-e75f6e44-12
0.738
MAT-POS-e75f6e44-15
0.738
MAT-POS-e75f6e44-19
0.738
EDJ-MED-33064c06-16
0.731
MAT-POS-e75f6e44-11
0.731
MAT-POS-e75f6e44-10
0.731
MAT-POS-69786b79-4
0.722
MAT-POS-e75f6e44-3
0.720
EDJ-MED-4cb9dd84-3
0.720
EDJ-MED-6b23330e-3
0.712
MIK-ENA-4a1c9a78-1
0.710
MIK-ENA-1494235a-1
0.710
MIK-ENA-4ed700b1-1
0.710
EDJ-MED-33064c06-4
0.709
MAT-POS-e75f6e44-9
0.703
MAT-POS-e75f6e44-8
0.703
ALP-POS-c3a90b22-6
0.676
EDJ-MED-40e596c8-3
0.670
ALP-POS-133e7cd9-1
0.657
EDJ-MED-40e596c8-2
0.652
VLA-UNK-3bd6fc51-1
0.645
MAT-POS-ddfe83c6-6
0.642
ALP-POS-ecbed2ba-5
0.637
EDJ-MED-40e596c8-1
0.636
EDJ-MED-59d5ca70-2
0.635
EDJ-MED-4cb9dd84-1
0.614
VLA-UNK-5d8210f0-2
0.611
MAT-POS-38eb6498-5
0.609
LUO-POS-b4dec3be-1
0.605
MIK-ENA-610c7cf9-1
0.605
MIK-ENA-4bb8c98f-1
0.605
LUO-POS-b4dec3be-2
0.605
MAT-POS-b4d6b7fc-5
0.605
LUO-POS-e1dab717-12
0.602
PET-UNK-7e9559de-4
0.600
ALP-POS-c3a90b22-7
0.600
MAT-POS-96396902-1
0.600
PET-UNK-7e9559de-1
0.600
ALP-POS-c3a90b22-11
0.598
EDJ-MED-33064c06-6
0.597
MIK-ENA-f73d8b60-1
0.595
EDJ-MED-b6c6ee2b-2
0.595
ALP-POS-c3a90b22-12
0.593
EDJ-MED-33064c06-9
0.593
MAT-POS-69786b79-1
0.593
LUO-POS-e1dab717-1
0.593
ALP-POS-ecbed2ba-7
0.593
MAT-POS-576f7758-1
0.593
MAT-POS-566864e2-3
0.593
MAT-POS-566864e2-4
0.593
ALP-POS-afe0272e-1
0.589
EDJ-MED-7587a9ee-3
0.587
LUO-POS-ed2cfb03-2
0.586
ALP-POS-c3a90b22-2
0.583
MAT-POS-be048f2c-7
0.580
EDJ-MED-4138fde9-8
0.578
ALP-POS-ecbed2ba-20
0.577
ALP-POS-ecbed2ba-1
0.576
EDJ-MED-4138fde9-9
0.576
MAT-POS-b4d6b7fc-7
0.575
ALP-POS-ecbed2ba-18
0.574
EDJ-MED-cc48ee33-3
0.569
MAT-POS-b4d6b7fc-6
0.569
MAT-POS-1d5ab790-2
0.569
EDJ-MED-b6c6ee2b-1
0.568
MAT-POS-38eb6498-3
0.568
ALP-POS-c3a90b22-4
0.568
MAT-POS-be048f2c-5
0.567