Molecule Details
| Molecular Properties | |
| SMILES: | CNS(=O)(=O)CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
| MW: | 445.09 |
| Fraction sp3: | 0.24 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 97.39 |
| cLogP: | 3.1 |
| Covalent Warhead: | ✔️ |
| Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
![O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2ccc(Cl)cc21](/static/images/loading.7a8cbb7079d7.gif)
MAT-POS-b3e365b9-1
RAL-THA-e002e396-1
0.852
RAL-THA-e002e396-2
0.852
RAL-THA-e002e396-6
0.822
RAL-THA-e002e396-7
0.815
RAL-THA-e002e396-8
0.787
RAL-THA-e002e396-3
0.771
MAT-POS-e6dd326d-2
0.758
MAT-POS-45b13633-2
0.758
MAT-POS-f9802937-5
0.745
MAT-POS-5d65ec79-2
0.745
MAT-POS-f9802937-6
0.745
MAT-POS-e6dd326d-4
0.745
RAL-THA-e002e396-4
0.740
RAL-THA-e002e396-9
0.740
MAT-POS-9db1e783-2
0.736
EDG-MED-971238d3-2
0.736
EDG-MED-971238d3-10
0.731
RAL-THA-58fba2bc-1
0.731
MAT-POS-45b13633-4
0.731
EDG-MED-971238d3-9
0.731
JAG-UCB-706446eb-3
0.731
RAL-THA-58fba2bc-3
0.731
EDG-MED-971238d3-3
0.731
EDG-MED-971238d3-6
0.731
MAT-POS-2bb0cf2b-1
0.728
MAT-POS-e6dd326d-1
0.728
EDG-MED-971238d3-5
0.728
MAT-POS-45b13633-1
0.728
RAL-THA-e002e396-10
0.725
DAR-DIA-6a508060-13
0.724
MAT-POS-e6dd326d-3
0.723
MAT-POS-45b13633-3
0.723
MAT-POS-5d65ec79-1
0.719
MAT-POS-f9802937-4
0.719
MAT-POS-f9802937-3
0.719
EDJ-MED-28ec730d-2
0.719
MAT-POS-45b13633-5
0.719
EDJ-MED-00143744-2
0.718
RAL-THA-e002e396-11
0.716
MAT-POS-e6dd326d-5
0.714
MAT-POS-e6dd326d-12
0.711
EDJ-MED-f893e2a1-8
0.708
EDG-MED-971238d3-7
0.708
MAT-POS-e6dd326d-9
0.708
EDG-MED-971238d3-8
0.708
DAR-DIA-ecdbc7dd-13
0.705
EDJ-MED-424a8a89-2
0.701
EDJ-MED-15e90dfc-7
0.700
EDJ-MED-28ec730d-1
0.697
RAL-THA-e002e396-12
0.694
MAT-POS-e6dd326d-11
0.694
ALP-POS-477dc5b7-3
0.694
DAR-DIA-ecdbc7dd-4
0.691
JAG-UCB-706446eb-2
0.690
JAG-UCB-706446eb-4
0.690
MAT-POS-e6dd326d-6
0.687
DAR-DIA-ecdbc7dd-18
0.683
ALP-POS-9c80c481-1
0.683
DAR-DIA-ecdbc7dd-3
0.677
MAT-POS-e6dd326d-8
0.677
MAT-POS-e6dd326d-13
0.673
EDJ-MED-15e90dfc-3
0.673
EDJ-MED-424a8a89-1
0.673
MAT-POS-e6dd326d-10
0.673
MAT-POS-7174c657-1
0.673
KAD-UNI-cb0f2bbc-23
0.673
MAT-POS-24589f88-13
0.673
EDJ-MED-8c98ee63-1
0.670
JAG-UCB-706446eb-1
0.670
EDJ-MED-4c7486ba-1
0.667
EDJ-MED-4c7486ba-4
0.667
EDG-MED-70ae9412-2
0.667
DAR-DIA-ecdbc7dd-2
0.667
MAT-POS-e6dd326d-7
0.667
DAR-DIA-ecdbc7dd-5
0.663
RAL-THA-e002e396-13
0.663
DAR-DIA-ecdbc7dd-11
0.663
EDG-MED-ba1ac7b9-2
0.660
EDG-MED-ba1ac7b9-6
0.660
EDJ-MED-f893e2a1-9
0.660
EDJ-MED-15e90dfc-5
0.660
EDJ-MED-d203f206-20
0.657
EDJ-MED-40433386-10
0.657
DAR-DIA-ecdbc7dd-16
0.657
EDG-MED-ba1ac7b9-7
0.654
EDJ-MED-fcba3f31-5
0.654
EDJ-MED-fcba3f31-4
0.654
MAT-POS-fc9ede84-1
0.654
EDJ-MED-f893e2a1-3
0.650
MAT-POS-78e1d523-2
0.650
VLA-UCB-05e51b3f-13
0.648
DAR-DIA-6a508060-9
0.648
VLA-UCB-50c39ae8-10
0.648
EDJ-MED-d203f206-13
0.645
EDJ-MED-d203f206-7
0.645
EDJ-MED-40433386-4
0.644
ALP-UNI-8e43a71e-16
0.642
ALP-UNI-3496895b-16
0.642
CHO-MSK-a31cca77-4
0.642
EDJ-MED-f893e2a1-10
0.642