Molecular Properties | |
SMILES: | CC(=O)OCCn1cc(CNC[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)cn1 |
MW: | 533.18 |
Fraction sp3: | 0.29 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 107.37 |
cLogP: | 4.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-03-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Carboxylic acid esters
aliphatic ester, not lactones
Ester
KAD-UNI-b13decd3-11
0.810
KAD-UNI-b13decd3-3
0.686
MAT-POS-24589f88-12
0.686
KAD-UNI-b13decd3-10
0.683
MAT-POS-a3f7f96a-6
0.683
KAD-UNI-cb0f2bbc-7
0.683
EDJ-MED-f893e2a1-8
0.676
EDJ-MED-15e90dfc-3
0.675
EDJ-MED-424a8a89-1
0.675
EDJ-MED-8c98ee63-2
0.672
KAD-UNI-cb0f2bbc-16
0.672
MAT-POS-61f37a1a-6
0.672
EDJ-MED-f893e2a1-5
0.667
MAT-POS-a3f7f96a-9
0.667
KAD-UNI-cb0f2bbc-9
0.667
KAD-UNI-cb0f2bbc-11
0.661
MAT-POS-a3f7f96a-7
0.661
MAT-POS-e6dd326d-10
0.661
MAT-POS-e6dd326d-9
0.661
KAD-UNI-cb0f2bbc-18
0.659
MAT-POS-61f37a1a-9
0.659
EDJ-MED-8c98ee63-1
0.658
MAT-POS-e6dd326d-6
0.658
KAD-UNI-cb0f2bbc-2
0.656
MAT-POS-e6dd326d-2
0.655
MAT-POS-45b13633-2
0.655
KAD-UNI-b13decd3-4
0.653
MAT-POS-7174c657-4
0.653
MAT-POS-24589f88-9
0.653
MAT-POS-e6dd326d-11
0.649
MAT-POS-5f1400cf-2
0.648
MAT-POS-7174c657-1
0.648
KAD-UNI-cb0f2bbc-23
0.648
KAD-UNI-b13decd3-6
0.648
MAT-POS-24589f88-13
0.648
MAT-POS-e6dd326d-13
0.647
MAT-POS-61f37a1a-3
0.645
KAD-UNI-cb0f2bbc-22
0.645
KAD-UNI-cb0f2bbc-6
0.643
MAT-POS-24589f88-8
0.643
EDJ-MED-15e90dfc-1
0.642
EDJ-MED-15e90dfc-4
0.642
EDJ-MED-f893e2a1-1
0.642
EDJ-MED-15e90dfc-7
0.641
MAT-POS-e6dd326d-7
0.641
MAT-POS-e6dd326d-12
0.635
EDJ-MED-f893e2a1-4
0.633
EDJ-MED-40433386-10
0.632
KAD-UNI-b13decd3-9
0.632
MAT-POS-e6dd326d-4
0.632
EDJ-MED-f893e2a1-7
0.631
EDJ-MED-f893e2a1-3
0.627
KAD-UNI-b13decd3-12
0.627
EDJ-MED-424a8a89-2
0.626
MAT-POS-24589f88-7
0.626
KAD-UNI-cb0f2bbc-5
0.626
KAD-UNI-cb0f2bbc-1
0.621
MAT-POS-24589f88-15
0.621
KAD-UNI-cb0f2bbc-17
0.621
MAT-POS-61f37a1a-8
0.621
MAT-POS-e6dd326d-8
0.621
EDJ-MED-f893e2a1-10
0.620
MAT-POS-2bb0cf2b-1
0.616
MAT-POS-e6dd326d-1
0.616
EDG-MED-971238d3-5
0.616
MAT-POS-45b13633-1
0.616
MAT-POS-61f37a1a-4
0.615
KAD-UNI-cb0f2bbc-3
0.615
KAD-UNI-cb0f2bbc-13
0.614
MAT-POS-61f37a1a-15
0.614
EDJ-MED-4c7486ba-1
0.613
EDJ-MED-4c7486ba-4
0.613
EDG-MED-70ae9412-2
0.613
MAT-POS-e6dd326d-5
0.610
RAL-THA-e002e396-11
0.609
EDJ-MED-40433386-4
0.608
KAD-UNI-cb0f2bbc-15
0.606
KAD-UNI-cb0f2bbc-19
0.606
KAD-UNI-b13decd3-2
0.606
MAT-POS-a3f7f96a-8
0.606
EDG-MED-971238d3-6
0.605
DAR-DIA-ecdbc7dd-16
0.605
EDJ-MED-15e90dfc-6
0.605
KAD-UNI-cb0f2bbc-14
0.604
MAT-POS-61f37a1a-10
0.604
KAD-UNI-cb0f2bbc-21
0.604
MAT-POS-24589f88-10
0.604
MAT-POS-e6dd326d-14
0.602
EDJ-MED-f893e2a1-2
0.602
KAD-UNI-cb0f2bbc-24
0.602
MAT-POS-61f37a1a-7
0.602
EDJ-MED-4c7486ba-2
0.600
EDJ-MED-4c7486ba-5
0.600
EDG-MED-70ae9412-1
0.600
EDJ-MED-28ec730d-2
0.598
MAT-POS-5f1400cf-1
0.595
KAD-UNI-cb0f2bbc-20
0.595
KAD-UNI-b13decd3-1
0.595
KAD-UNI-b13decd3-8
0.594
MAT-POS-61f37a1a-11
0.594