Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@]1(COC[C@@H](F)CO)CCOc2ccc(Cl)cc21 |
MW: | 444.13 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 80.68 |
cLogP: | 3.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
EDJ-MED-fcba3f31-4
0.816
RAL-THA-e002e396-12
0.792
ALP-POS-9c80c481-1
0.778
RAL-THA-e002e396-11
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EDJ-MED-fcba3f31-2
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MAT-POS-fc9ede84-1
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EDJ-MED-00143744-2
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EDJ-MED-fcba3f31-3
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RAL-THA-e002e396-13
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EDJ-MED-fcba3f31-10
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EDJ-MED-fcba3f31-6
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EDG-MED-971238d3-2
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MAT-POS-9db1e783-2
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LEE-CAM-7ab9b158-3
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EDJ-MED-fcba3f31-12
0.691
EDJ-MED-fcba3f31-9
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EDJ-MED-fcba3f31-11
0.688
RAL-THA-58fba2bc-3
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EDG-MED-971238d3-3
0.687
EDJ-MED-00143744-1
0.685
EDJ-MED-60df06f3-1
0.685
MAT-POS-2bb0cf2b-1
0.684
EDG-MED-971238d3-5
0.684
MAT-POS-45b13633-1
0.684
MAT-POS-e6dd326d-1
0.684
DAR-DIA-ecdbc7dd-4
0.683
EDJ-MED-fcba3f31-8
0.682
MAT-POS-45b13633-3
0.680
MAT-POS-e6dd326d-3
0.680
DAR-DIA-ecdbc7dd-13
0.680
EDJ-MED-fcba3f31-7
0.679
MAT-POS-45b13633-2
0.677
MAT-POS-e6dd326d-2
0.677
EDJ-MED-424a8a89-2
0.676
EDG-MED-971238d3-10
0.670
RAL-THA-58fba2bc-1
0.670
EDG-MED-971238d3-6
0.670
MAT-POS-45b13633-4
0.670
JAG-UCB-706446eb-3
0.670
EDG-MED-971238d3-9
0.670
DAR-DIA-ecdbc7dd-3
0.670
EDG-MED-971238d3-8
0.667
MAT-POS-f9802937-5
0.667
EDJ-MED-f893e2a1-8
0.667
MAT-POS-5d65ec79-2
0.667
MAT-POS-f9802937-6
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EDJ-MED-28ec730d-2
0.660
MAT-POS-45b13633-5
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DAR-DIA-ecdbc7dd-11
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RAL-THA-e002e396-1
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RAL-THA-e002e396-2
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EDJ-MED-fcba3f31-1
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RAL-THA-e002e396-5
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MAT-POS-e6dd326d-8
0.654
ALP-POS-477dc5b7-3
0.654
EDG-MED-971238d3-7
0.650
MAT-POS-e6dd326d-4
0.650
RAL-THA-e002e396-6
0.650
MAT-POS-e6dd326d-9
0.650
MAT-POS-e6dd326d-6
0.648
LEE-CAM-7ab9b158-1
0.646
DAR-DIA-ecdbc7dd-2
0.645
MAT-POS-f9802937-3
0.644
MAT-POS-f9802937-4
0.644
MAT-POS-5d65ec79-1
0.644
EDJ-MED-28ec730d-1
0.642
DAR-DIA-ecdbc7dd-5
0.642
RAL-THA-e002e396-8
0.642
EDJ-MED-40433386-4
0.639
MAT-POS-e6dd326d-12
0.638
MAT-POS-e6dd326d-11
0.638
JAG-UCB-706446eb-4
0.636
EDJ-MED-424a8a89-1
0.636
EDJ-MED-40433386-10
0.636
EDJ-MED-15e90dfc-3
0.636
MAT-POS-e6dd326d-10
0.636
JAG-UCB-706446eb-2
0.636
JAG-UCB-706446eb-1
0.633
RAL-THA-e002e396-7
0.632
EDG-MED-70ae9412-2
0.630
EDJ-MED-4c7486ba-4
0.630
DAR-DIA-ecdbc7dd-18
0.630
RAL-THA-e002e396-3
0.630
MAT-POS-e6dd326d-7
0.630
EDJ-MED-f893e2a1-3
0.630
EDJ-MED-4c7486ba-1
0.630
MAT-POS-e6dd326d-5
0.626
LEE-CAM-7ab9b158-2
0.623
LEE-CAM-7ab9b158-4
0.623
MAT-POS-e6dd326d-13
0.620
DAR-DIA-ecdbc7dd-16
0.620
DAR-DIA-6a508060-13
0.620
EDJ-MED-8c98ee63-1
0.618
JAG-UCB-706446eb-6
0.616
EDJ-MED-15e90dfc-7
0.615
VLA-UCB-05e51b3f-13
0.613
DAR-DIA-6a508060-9
0.613
VLA-UCB-50c39ae8-10
0.613
JAG-UCB-706446eb-8
0.613
EDJ-MED-d203f206-34
0.611