Molecular Properties | |
SMILES: | Cn1c(CNC[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)nc2c1c(=O)[nH]c(=O)n2C |
MW: | 559.17 |
Fraction sp3: | 0.25 |
HBA: | 9 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 135.93 |
cLogP: | 2.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-03-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Filter82_pyridinium
KAD-UNI-cb0f2bbc-13
1.000
EDJ-MED-8c98ee63-2
0.669
EDJ-MED-f893e2a1-8
0.658
MAT-POS-e6dd326d-11
0.647
MAT-POS-e6dd326d-13
0.644
MAT-POS-e6dd326d-10
0.644
EDJ-MED-f893e2a1-7
0.642
KAD-UNI-cb0f2bbc-2
0.641
EDJ-MED-15e90dfc-1
0.639
EDJ-MED-f893e2a1-1
0.639
MAT-POS-e6dd326d-2
0.637
MAT-POS-45b13633-2
0.637
EDJ-MED-15e90dfc-3
0.630
EDJ-MED-424a8a89-1
0.630
EDJ-MED-15e90dfc-4
0.626
EDJ-MED-15e90dfc-7
0.625
KAD-UNI-b13decd3-6
0.620
MAT-POS-5f1400cf-2
0.620
KAD-UNI-b13decd3-9
0.617
KAD-UNI-b13decd3-2
0.617
KAD-UNI-cb0f2bbc-7
0.617
MAT-POS-a3f7f96a-6
0.617
MAT-POS-24589f88-12
0.616
KAD-UNI-b13decd3-3
0.616
MAT-POS-61f37a1a-3
0.616
EDJ-MED-15e90dfc-6
0.616
KAD-UNI-cb0f2bbc-22
0.616
MAT-POS-e6dd326d-9
0.615
ALP-UNI-0676e700-26
0.615
MAT-POS-e6dd326d-4
0.615
EDJ-MED-8c98ee63-1
0.615
KAD-UNI-b13decd3-7
0.614
KAD-UNI-b13decd3-11
0.614
MAT-POS-e6dd326d-14
0.613
ALP-UNI-0676e700-28
0.612
KAD-UNI-b13decd3-12
0.612
EDJ-MED-f893e2a1-3
0.612
EDJ-MED-424a8a89-2
0.610
MAT-POS-e6dd326d-12
0.605
EDJ-MED-f893e2a1-10
0.605
MAT-POS-61f37a1a-9
0.605
KAD-UNI-cb0f2bbc-15
0.605
KAD-UNI-cb0f2bbc-18
0.605
EDJ-MED-f893e2a1-6
0.603
KAD-UNI-b13decd3-10
0.603
KAD-UNI-cb0f2bbc-4
0.603
EDJ-MED-f893e2a1-2
0.600
MAT-POS-e6dd326d-6
0.600
MAT-POS-e6dd326d-7
0.598
MAT-POS-61f37a1a-8
0.596
MAT-POS-24589f88-15
0.596
KAD-UNI-cb0f2bbc-1
0.596
KAD-UNI-cb0f2bbc-17
0.596
KAD-UNI-cb0f2bbc-23
0.595
MAT-POS-7174c657-1
0.595
MAT-POS-24589f88-13
0.595
MAT-POS-e6dd326d-5
0.595
KAD-UNI-cb0f2bbc-16
0.594
KAD-UNI-cb0f2bbc-20
0.594
KAD-UNI-b13decd3-1
0.594
MAT-POS-5f1400cf-1
0.594
MAT-POS-61f37a1a-6
0.594
MAT-POS-24589f88-8
0.593
KAD-UNI-cb0f2bbc-6
0.593
EDJ-MED-f893e2a1-4
0.592
MAT-POS-e6dd326d-8
0.592
KAD-UNI-cb0f2bbc-21
0.591
MAT-POS-24589f88-10
0.591
EDJ-MED-40433386-10
0.590
MAT-POS-a3f7f96a-9
0.590
KAD-UNI-cb0f2bbc-9
0.590
KAD-UNI-b13decd3-4
0.588
MAT-POS-24589f88-9
0.588
MAT-POS-7174c657-4
0.588
MAT-POS-45b13633-1
0.586
MAT-POS-2bb0cf2b-1
0.586
MAT-POS-e6dd326d-1
0.586
EDG-MED-971238d3-5
0.586
EDJ-MED-4c7486ba-1
0.585
EDJ-MED-4c7486ba-4
0.585
EDG-MED-70ae9412-2
0.585
MAT-POS-a3f7f96a-7
0.585
KAD-UNI-cb0f2bbc-11
0.585
MAT-POS-a3f7f96a-8
0.581
KAD-UNI-cb0f2bbc-19
0.581
EDJ-MED-40433386-4
0.581
RAL-THA-e002e396-11
0.580
MAT-POS-61f37a1a-10
0.580
KAD-UNI-cb0f2bbc-14
0.580
MAT-POS-61f37a1a-4
0.579
KAD-UNI-cb0f2bbc-3
0.579
EDJ-MED-f893e2a1-5
0.578
MAT-POS-9db1e783-2
0.578
EDG-MED-971238d3-2
0.578
DAR-DIA-ecdbc7dd-16
0.577
EDG-MED-971238d3-6
0.576
EDG-MED-971238d3-3
0.576
RAL-THA-58fba2bc-3
0.576
EDJ-MED-15e90dfc-2
0.576
ALP-UNI-0676e700-25
0.574