Molecular Properties | |
SMILES: | CN1CCC(N(CCO)C(=O)CC2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)CC1 |
MW: | 536.22 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 95.0 |
cLogP: | 3.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-01-25 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Long aliphatic chain
EDG-MED-ba1ac7b9-3
0.881
MAT-POS-f9802937-3
0.740
MAT-POS-f9802937-4
0.740
MAT-POS-5d65ec79-1
0.740
EDG-MED-ba1ac7b9-8
0.736
EDG-MED-ba1ac7b9-16
0.730
EDG-MED-ba1ac7b9-17
0.720
JAG-UCB-706446eb-5
0.702
EDG-MED-ba1ac7b9-28
0.701
EDJ-MED-d203f206-31
0.698
EDG-MED-ba1ac7b9-24
0.690
EDG-MED-ba1ac7b9-29
0.686
EDG-MED-971238d3-10
0.686
RAL-THA-58fba2bc-1
0.686
MAT-POS-45b13633-4
0.686
EDG-MED-ba1ac7b9-2
0.684
MAT-POS-5d65ec79-2
0.682
MAT-POS-f9802937-5
0.682
MAT-POS-f9802937-6
0.682
MAT-POS-45b13633-5
0.676
EDJ-MED-d203f206-41
0.675
EDG-MED-ba1ac7b9-15
0.664
EDG-MED-ba1ac7b9-7
0.664
EDG-MED-ba1ac7b9-1
0.664
EDG-MED-ba1ac7b9-13
0.658
EDG-MED-ba1ac7b9-27
0.656
EDG-MED-ba1ac7b9-6
0.655
RAL-THA-58fba2bc-3
0.654
EDG-MED-971238d3-3
0.654
EDJ-MED-d203f206-5
0.653
ALP-POS-67d5babe-5
0.653
ALP-UNI-76695c4f-8
0.650
ALP-UNI-3496895b-9
0.650
ALP-UNI-8e43a71e-9
0.650
KAD-UNI-8a629cb0-17
0.650
KAD-UNI-80f122c8-5
0.650
EDG-MED-ba1ac7b9-25
0.648
EDJ-MED-d203f206-22
0.647
DAR-DIA-ecdbc7dd-2
0.646
ALP-UNI-3496895b-2
0.645
ALP-UNI-8e43a71e-2
0.645
EDJ-MED-d203f206-19
0.644
RAL-THA-e002e396-8
0.643
EDG-MED-ba1ac7b9-26
0.642
EDG-MED-971238d3-2
0.642
MAT-POS-9db1e783-2
0.642
RAL-THA-e002e396-12
0.640
ALP-POS-67d5babe-4
0.639
EDJ-MED-d203f206-15
0.639
EDJ-MED-d203f206-42
0.639
EDJ-MED-d203f206-38
0.636
ALP-UNI-8e43a71e-8
0.636
ALP-UNI-3496895b-8
0.636
EDJ-MED-d203f206-30
0.636
ALP-UNI-3496895b-3
0.633
ALP-UNI-76695c4f-6
0.633
ALP-UNI-8e43a71e-3
0.633
KAD-UNI-80f122c8-2
0.633
EDJ-MED-d203f206-26
0.633
EDJ-MED-d203f206-43
0.633
KAD-UNI-8a629cb0-10
0.633
DAR-DIA-ecdbc7dd-13
0.633
EDJ-MED-d203f206-8
0.631
KAD-UNI-8a629cb0-42
0.630
CHO-MSK-a31cca77-2
0.630
MAT-POS-45b13633-2
0.630
MAT-POS-e6dd326d-2
0.630
RAL-THA-e002e396-2
0.627
RAL-THA-e002e396-1
0.627
RAL-THA-e002e396-11
0.627
EDJ-MED-d203f206-34
0.627
ALP-UNI-0676e700-30
0.626
EDJ-MED-d203f206-40
0.626
KAD-UNI-8a629cb0-33
0.626
ALP-POS-477dc5b7-3
0.625
ALP-UNI-76695c4f-2
0.624
ALP-POS-2da19ca7-4
0.624
KAD-UNI-8a629cb0-5
0.624
EDJ-MED-d203f206-37
0.622
DAR-DIA-ecdbc7dd-4
0.622
EDG-MED-971238d3-8
0.622
EDG-MED-ba1ac7b9-14
0.621
EDG-MED-971238d3-5
0.620
MAT-POS-e6dd326d-1
0.620
MAT-POS-45b13633-1
0.620
MAT-POS-2bb0cf2b-1
0.620
EDG-MED-ba1ac7b9-12
0.619
EDJ-MED-d203f206-16
0.619
MAT-POS-e6dd326d-3
0.618
MAT-POS-45b13633-3
0.618
EDG-MED-ba1ac7b9-5
0.618
ALP-UNI-76695c4f-10
0.617
KAD-UNI-8a629cb0-31
0.617
MAT-POS-78e1d523-2
0.616
EDJ-MED-424a8a89-2
0.616
EDJ-MED-d203f206-13
0.613
EDJ-MED-d203f206-7
0.613
EDG-MED-ba1ac7b9-32
0.613
ALP-UNI-76695c4f-9
0.613
ALP-UNI-3496895b-10
0.613