Molecular Properties | |
SMILES: | O=C(CC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)N(Cc1ccc(O)cn1)C1CC1 |
MW: | 542.17 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 104.65 |
cLogP: | 5.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-01-25 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Long aliphatic chain
EDG-MED-ba1ac7b9-3
0.752
EDG-MED-ba1ac7b9-8
0.745
EDG-MED-ba1ac7b9-16
0.739
EDG-MED-ba1ac7b9-17
0.729
EDJ-MED-d203f206-31
0.707
MAT-POS-f9802937-3
0.701
MAT-POS-f9802937-4
0.701
MAT-POS-5d65ec79-1
0.701
EDG-MED-ba1ac7b9-30
0.686
EDG-MED-ba1ac7b9-24
0.684
RAL-THA-58fba2bc-1
0.679
MAT-POS-45b13633-4
0.679
EDG-MED-971238d3-10
0.679
MAT-POS-5d65ec79-2
0.661
MAT-POS-f9802937-5
0.661
MAT-POS-f9802937-6
0.661
EDG-MED-ba1ac7b9-1
0.658
JAG-UCB-706446eb-5
0.656
MAT-POS-45b13633-5
0.655
EDG-MED-ba1ac7b9-2
0.636
EDG-MED-ba1ac7b9-6
0.636
JAG-UCB-706446eb-7
0.633
EDJ-MED-d203f206-2
0.632
EDJ-MED-d203f206-20
0.632
CHO-MSK-a31cca77-4
0.632
EDJ-MED-d203f206-22
0.628
EDJ-MED-d203f206-13
0.622
EDJ-MED-d203f206-5
0.621
ALP-POS-67d5babe-5
0.621
MAT-POS-9db1e783-2
0.620
EDG-MED-971238d3-2
0.620
EDJ-MED-d203f206-12
0.620
ALP-POS-477dc5b7-3
0.619
EDJ-MED-d203f206-1
0.619
CHO-MSK-a31cca77-1
0.619
EDJ-MED-d203f206-30
0.618
EDJ-MED-d203f206-18
0.617
EDG-MED-ba1ac7b9-7
0.617
CHO-MSK-a31cca77-3
0.617
EDJ-MED-d203f206-41
0.615
EDG-MED-971238d3-5
0.615
MAT-POS-e6dd326d-1
0.615
MAT-POS-45b13633-1
0.615
MAT-POS-2bb0cf2b-1
0.615
JAG-UCB-706446eb-6
0.613
EDJ-MED-d203f206-11
0.613
EDG-MED-ba1ac7b9-28
0.613
MAT-POS-45b13633-3
0.613
MAT-POS-e6dd326d-3
0.613
EDJ-MED-d203f206-19
0.612
EDG-MED-ba1ac7b9-13
0.612
KAD-UNI-8a629cb0-42
0.612
MAT-POS-45b13633-2
0.609
MAT-POS-e6dd326d-2
0.609
EDJ-MED-d203f206-7
0.608
EDJ-MED-d203f206-34
0.608
RAL-THA-e002e396-1
0.607
RAL-THA-e002e396-2
0.607
RAL-THA-e002e396-11
0.607
EDJ-MED-d203f206-29
0.607
EDG-MED-ba1ac7b9-15
0.605
ALP-UNI-76695c4f-8
0.605
ALP-UNI-8e43a71e-9
0.605
ALP-UNI-3496895b-9
0.605
KAD-UNI-8a629cb0-17
0.605
KAD-UNI-80f122c8-5
0.605
EDG-MED-971238d3-6
0.604
RAL-THA-58fba2bc-3
0.604
JAG-UCB-706446eb-3
0.604
EDG-MED-971238d3-9
0.604
EDG-MED-971238d3-3
0.604
EDJ-MED-d203f206-37
0.603
RAL-THA-e002e396-6
0.602
MAT-POS-e6dd326d-4
0.602
EDJ-MED-d203f206-26
0.602
EDJ-MED-d203f206-43
0.602
KAD-UNI-8a629cb0-10
0.602
KAD-UNI-8a629cb0-46
0.602
ALP-UNI-3496895b-3
0.602
ALP-UNI-76695c4f-6
0.602
ALP-UNI-8e43a71e-3
0.602
KAD-UNI-80f122c8-2
0.602
EDJ-MED-d203f206-25
0.600
EDJ-MED-d203f206-33
0.600
ALP-POS-67d5babe-2
0.600
EDJ-MED-d203f206-8
0.600
CHO-MSK-a31cca77-2
0.598
DAR-DIA-ecdbc7dd-13
0.598
VLA-UCB-05e51b3f-13
0.597
DAR-DIA-6a508060-9
0.597
VLA-UCB-50c39ae8-10
0.597
MAT-POS-78e1d523-2
0.596
EDG-MED-ba1ac7b9-32
0.595
EDJ-MED-d203f206-15
0.595
EDJ-MED-d203f206-42
0.595
RAL-THA-e002e396-8
0.595
EDG-MED-ba1ac7b9-31
0.594
EDJ-MED-d203f206-38
0.592
RAL-THA-e002e396-4
0.592
RAL-THA-e002e396-5
0.591