Molecule Details
| Molecular Properties | |
| SMILES: | NCc1cccc(C[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)c1 |
| MW: | 457.16 |
| Fraction sp3: | 0.19 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 77.24 |
| cLogP: | 5.25 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
![O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2ccc(Cl)cc21](/static/images/loading.7a8cbb7079d7.gif)
MAT-POS-b3e365b9-1
JAG-UCB-7b680c2b-1
0.752
EDG-MED-971238d3-5
0.711
MAT-POS-2bb0cf2b-1
0.711
MAT-POS-45b13633-1
0.711
MAT-POS-e6dd326d-1
0.711
EDG-MED-971238d3-6
0.697
MAT-POS-9db1e783-2
0.684
EDG-MED-971238d3-2
0.684
EDG-MED-971238d3-3
0.680
RAL-THA-58fba2bc-3
0.680
EDG-MED-971238d3-7
0.676
MAT-POS-45b13633-2
0.670
MAT-POS-e6dd326d-2
0.670
RAL-THA-e002e396-11
0.667
RAL-THA-58fba2bc-1
0.663
EDG-MED-971238d3-9
0.663
JAG-UCB-706446eb-3
0.663
EDG-MED-971238d3-10
0.663
MAT-POS-45b13633-4
0.663
RAL-THA-e002e396-6
0.660
MAT-POS-e6dd326d-9
0.660
DAR-DIA-ecdbc7dd-13
0.657
MAT-POS-45b13633-3
0.657
MAT-POS-e6dd326d-3
0.657
RAL-THA-e002e396-2
0.650
RAL-THA-e002e396-1
0.650
RAL-THA-e002e396-12
0.648
MAT-POS-e6dd326d-12
0.648
EDJ-MED-40433386-10
0.645
EDG-MED-971238d3-8
0.644
MAT-POS-f9802937-6
0.644
MAT-POS-f9802937-5
0.644
MAT-POS-5d65ec79-2
0.644
DAR-DIA-ecdbc7dd-4
0.644
EDJ-MED-f893e2a1-8
0.644
MAT-POS-e6dd326d-4
0.644
MAT-POS-e6dd326d-6
0.642
EDJ-MED-424a8a89-2
0.638
EDJ-MED-28ec730d-2
0.638
MAT-POS-5d65ec79-1
0.638
MAT-POS-f9802937-3
0.638
MAT-POS-f9802937-4
0.638
MAT-POS-45b13633-5
0.638
RAL-THA-e002e396-13
0.636
DAR-DIA-ecdbc7dd-5
0.636
ALP-POS-477dc5b7-3
0.632
RAL-THA-e002e396-5
0.632
DAR-DIA-ecdbc7dd-3
0.632
MAT-POS-e6dd326d-8
0.632
MAT-POS-e6dd326d-11
0.632
JAG-UCB-706446eb-4
0.630
RAL-THA-e002e396-7
0.626
ALP-POS-9c80c481-1
0.624
MAT-POS-e6dd326d-7
0.624
EDJ-MED-fcba3f31-2
0.622
DAR-DIA-ecdbc7dd-11
0.620
EDJ-MED-28ec730d-1
0.620
RAL-THA-e002e396-8
0.620
MAT-POS-e6dd326d-5
0.620
MAT-POS-e6dd326d-13
0.615
DAR-DIA-ecdbc7dd-16
0.615
EDJ-MED-15e90dfc-3
0.615
DAR-DIA-6a508060-13
0.615
JAG-UCB-706446eb-2
0.615
EDJ-MED-424a8a89-1
0.615
MAT-POS-e6dd326d-10
0.615
MAT-POS-24589f88-12
0.614
KAD-UNI-b13decd3-3
0.614
EDJ-MED-fcba3f31-4
0.613
JAG-UCB-706446eb-1
0.613
MAT-POS-fc9ede84-1
0.613
EDJ-MED-fcba3f31-5
0.613
EDJ-MED-15e90dfc-4
0.611
EDJ-MED-fcba3f31-3
0.611
EDJ-MED-f893e2a1-1
0.611
EDJ-MED-15e90dfc-1
0.611
EDG-MED-90036822-2
0.610
EDJ-MED-f893e2a1-3
0.609
RAL-THA-e002e396-3
0.609
EDJ-MED-15e90dfc-7
0.609
EDJ-MED-4c7486ba-1
0.609
EDG-MED-70ae9412-2
0.609
EDJ-MED-4c7486ba-4
0.609
DAR-DIA-ecdbc7dd-2
0.609
DAR-DIA-ecdbc7dd-18
0.609
EDJ-MED-40433386-4
0.604
EDJ-MED-15e90dfc-5
0.604
EDJ-MED-f893e2a1-9
0.604
EDJ-MED-d203f206-1
0.602
EDG-MED-ba1ac7b9-3
0.602
EDJ-MED-fcba3f31-8
0.602
EDJ-MED-f893e2a1-4
0.602
CHO-MSK-a31cca77-1
0.602
EDJ-MED-8c98ee63-2
0.600
EDJ-MED-00143744-2
0.600
EDJ-MED-8c98ee63-1
0.598
EDJ-MED-15e90dfc-2
0.598
EDG-MED-ba1ac7b9-8
0.596
MAT-POS-e6dd326d-14
0.596
MAT-POS-9db1e783-1
0.594