Molecular Properties | |
SMILES: | O=C(CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)N(CC(F)(F)F)C1COC1 |
MW: | 533.13 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 80.76 |
cLogP: | 4.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-01-25 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Oxetanes, thietanes
high halogen content (>3)
Long aliphatic chain
EDG-MED-ba1ac7b9-8
0.750
EDG-MED-ba1ac7b9-3
0.741
MAT-POS-f9802937-3
0.721
MAT-POS-f9802937-4
0.721
MAT-POS-5d65ec79-1
0.721
EDJ-MED-d203f206-31
0.711
MAT-POS-45b13633-4
0.699
EDG-MED-971238d3-10
0.699
RAL-THA-58fba2bc-1
0.699
EDG-MED-ba1ac7b9-30
0.690
JAG-UCB-706446eb-5
0.686
EDG-MED-ba1ac7b9-16
0.684
EDG-MED-ba1ac7b9-29
0.684
MAT-POS-5d65ec79-2
0.679
MAT-POS-f9802937-5
0.679
MAT-POS-f9802937-6
0.679
MAT-POS-45b13633-5
0.673
EDG-MED-ba1ac7b9-17
0.661
EDJ-MED-d203f206-38
0.661
EDG-MED-ba1ac7b9-2
0.652
EDG-MED-ba1ac7b9-6
0.652
EDG-MED-ba1ac7b9-1
0.647
EDG-MED-ba1ac7b9-7
0.647
MAT-POS-e6dd326d-2
0.642
MAT-POS-45b13633-2
0.642
KAD-UNI-8a629cb0-42
0.641
EDG-MED-ba1ac7b9-13
0.641
EDG-MED-971238d3-2
0.638
MAT-POS-9db1e783-2
0.638
ALP-POS-67d5babe-5
0.636
ALP-POS-477dc5b7-3
0.636
JAG-UCB-706446eb-7
0.636
EDG-MED-971238d3-3
0.636
RAL-THA-58fba2bc-3
0.636
CHO-MSK-a31cca77-4
0.635
EDJ-MED-d203f206-2
0.635
EDG-MED-ba1ac7b9-20
0.634
MAT-POS-45b13633-1
0.632
MAT-POS-e6dd326d-1
0.632
EDG-MED-971238d3-5
0.632
MAT-POS-2bb0cf2b-1
0.632
ALP-UNI-76695c4f-6
0.630
ALP-UNI-3496895b-3
0.630
ALP-UNI-8e43a71e-3
0.630
EDJ-MED-d203f206-22
0.630
EDJ-MED-d203f206-41
0.630
KAD-UNI-80f122c8-2
0.630
KAD-UNI-8a629cb0-10
0.630
DAR-DIA-ecdbc7dd-13
0.630
EDJ-MED-d203f206-33
0.628
EDG-MED-ba1ac7b9-23
0.626
EDJ-MED-d203f206-13
0.624
EDJ-MED-d203f206-34
0.624
EDJ-MED-d203f206-7
0.624
RAL-THA-e002e396-1
0.624
RAL-THA-e002e396-2
0.624
EDJ-MED-d203f206-42
0.623
RAL-THA-e002e396-5
0.622
CHO-MSK-a31cca77-1
0.621
EDJ-MED-d203f206-1
0.621
EDJ-MED-d203f206-20
0.621
EDG-MED-971238d3-9
0.620
JAG-UCB-706446eb-3
0.620
EDG-MED-971238d3-6
0.620
EDJ-MED-d203f206-30
0.620
EDG-MED-ba1ac7b9-15
0.620
DAR-DIA-ecdbc7dd-4
0.618
EDJ-MED-f893e2a1-8
0.618
RAL-THA-e002e396-6
0.618
EDG-MED-971238d3-8
0.618
MAT-POS-e6dd326d-4
0.618
MAT-POS-e6dd326d-9
0.618
JAG-UCB-706446eb-1
0.617
MAT-POS-e6dd326d-6
0.616
JAG-UCB-706446eb-6
0.615
EDJ-MED-d203f206-8
0.615
EDJ-MED-d203f206-11
0.615
MAT-POS-45b13633-3
0.615
MAT-POS-e6dd326d-3
0.615
EDJ-MED-d203f206-19
0.613
EDJ-MED-28ec730d-2
0.613
EDJ-MED-424a8a89-2
0.613
DAR-DIA-ecdbc7dd-5
0.611
RAL-THA-e002e396-8
0.611
KAD-UNI-8a629cb0-21
0.610
ALP-UNI-3496895b-10
0.610
EDJ-MED-d203f206-5
0.610
EDJ-MED-d203f206-15
0.610
ALP-UNI-8e43a71e-10
0.610
ALP-UNI-76695c4f-9
0.610
RAL-THA-e002e396-11
0.609
EDJ-MED-f893e2a1-9
0.609
EDJ-MED-d203f206-12
0.608
EDJ-MED-d203f206-29
0.608
EDG-MED-ba1ac7b9-18
0.608
RAL-THA-e002e396-12
0.607
MAT-POS-e6dd326d-8
0.607
MAT-POS-e6dd326d-11
0.607
MAT-POS-e6dd326d-12
0.607
DAR-DIA-ecdbc7dd-3
0.607