Molecular Properties | |
SMILES: | Cn1cc(N2CCC(CNC[C@@]3(C(=O)Nc4cncc5ccccc45)CCOc4ccc(Cl)cc43)C2)cn1 |
MW: | 530.22 |
Fraction sp3: | 0.34 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 84.31 |
cLogP: | 4.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-03-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Long aliphatic chain
MAT-POS-5f1400cf-1
1.000
KAD-UNI-b13decd3-1
1.000
EDJ-MED-15e90dfc-6
0.722
EDJ-MED-f893e2a1-8
0.682
EDJ-MED-f893e2a1-6
0.678
MAT-POS-e6dd326d-11
0.670
MAT-POS-45b13633-2
0.661
MAT-POS-e6dd326d-2
0.661
EDJ-MED-15e90dfc-3
0.652
EDJ-MED-424a8a89-1
0.652
MAT-POS-e6dd326d-10
0.652
MAT-POS-e6dd326d-13
0.652
EDJ-MED-8c98ee63-2
0.650
EDJ-MED-15e90dfc-7
0.647
MAT-POS-e6dd326d-12
0.640
DAR-DIA-ecdbc7dd-16
0.638
MAT-POS-e6dd326d-9
0.637
MAT-POS-e6dd326d-4
0.637
EDJ-MED-8c98ee63-1
0.636
EDJ-MED-f893e2a1-2
0.633
EDJ-MED-f893e2a1-3
0.632
EDJ-MED-424a8a89-2
0.632
MAT-POS-e6dd326d-5
0.629
EDJ-MED-f893e2a1-10
0.625
KAD-UNI-cb0f2bbc-18
0.624
MAT-POS-61f37a1a-9
0.624
KAD-UNI-cb0f2bbc-22
0.623
MAT-POS-61f37a1a-3
0.623
EDJ-MED-f893e2a1-7
0.623
KAD-UNI-cb0f2bbc-2
0.622
MAT-POS-e6dd326d-6
0.621
EDJ-MED-f893e2a1-1
0.620
EDJ-MED-15e90dfc-1
0.620
EDJ-MED-15e90dfc-4
0.620
DAR-DIA-ecdbc7dd-13
0.619
EDJ-MED-f893e2a1-9
0.613
EDJ-MED-40433386-4
0.613
MAT-POS-e6dd326d-8
0.612
EDJ-MED-f893e2a1-4
0.612
KAD-UNI-b13decd3-2
0.611
EDJ-MED-40433386-10
0.610
EDJ-MED-40433386-8
0.610
EDJ-MED-15e90dfc-2
0.608
KAD-UNI-b13decd3-11
0.608
MAT-POS-2bb0cf2b-1
0.607
MAT-POS-e6dd326d-1
0.607
MAT-POS-45b13633-1
0.607
EDG-MED-971238d3-5
0.607
MAT-POS-e6dd326d-14
0.607
EDG-MED-70ae9412-2
0.605
MAT-POS-e6dd326d-7
0.605
EDJ-MED-4c7486ba-4
0.605
DAR-DIA-ecdbc7dd-2
0.605
EDJ-MED-4c7486ba-1
0.605
EDJ-MED-40433386-9
0.605
MAT-POS-a3f7f96a-7
0.603
KAD-UNI-cb0f2bbc-11
0.603
ALP-UNI-0676e700-30
0.602
RAL-THA-e002e396-11
0.600
KAD-UNI-b13decd3-9
0.598
KAD-UNI-cb0f2bbc-15
0.598
EDJ-MED-40433386-5
0.598
ALP-POS-477dc5b7-3
0.598
MAT-POS-9db1e783-2
0.598
EDG-MED-971238d3-2
0.598
KAD-UNI-cb0f2bbc-4
0.597
MAT-POS-24589f88-12
0.597
KAD-UNI-b13decd3-3
0.597
RAL-THA-58fba2bc-3
0.596
EDG-MED-971238d3-3
0.596
KAD-UNI-b13decd3-7
0.595
DAR-DIA-ecdbc7dd-4
0.595
MAT-POS-f9802937-5
0.595
MAT-POS-5d65ec79-2
0.595
MAT-POS-f9802937-6
0.595
KAD-UNI-cb0f2bbc-13
0.594
MAT-POS-61f37a1a-15
0.594
DAR-DIA-ecdbc7dd-18
0.592
MAT-POS-e6dd326d-3
0.591
MAT-POS-45b13633-3
0.591
MAT-POS-3b97339c-1
0.590
EDJ-MED-40433386-3
0.590
EDJ-MED-4c7486ba-9
0.590
EDJ-MED-4c7486ba-12
0.590
EDJ-MED-40433386-7
0.590
EDJ-MED-28ec730d-2
0.590
KAD-UNI-cb0f2bbc-1
0.590
KAD-UNI-cb0f2bbc-17
0.590
MAT-POS-61f37a1a-8
0.590
MAT-POS-24589f88-15
0.590
MAT-POS-24589f88-13
0.589
MAT-POS-7174c657-1
0.589
KAD-UNI-cb0f2bbc-23
0.589
ALP-UNI-0676e700-19
0.587
KAD-UNI-8a629cb0-41
0.587
EDJ-MED-15e90dfc-5
0.587
RAL-THA-e002e396-1
0.586
RAL-THA-e002e396-2
0.586
ALP-UNI-0676e700-24
0.586
ALP-UNI-0676e700-7
0.586