Molecule Details
| Molecular Properties | |
| SMILES: | COC1(CNC(=O)CN2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CC1 |
| MW: | 504.19 |
| Fraction sp3: | 0.39 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 6 |
| TPSA: | 74.77 |
| cLogP: | 3.67 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-22 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Long aliphatic chain
MAT-POS-e75f6e44-10
1.000
MAT-POS-e75f6e44-4
0.830
EDJ-MED-6b23330e-5
0.830
MAT-POS-e75f6e44-7
0.822
ALP-POS-ecbed2ba-14
0.820
MAT-POS-e75f6e44-1
0.820
MAT-POS-e75f6e44-5
0.820
MAT-POS-e75f6e44-6
0.814
MAT-POS-e75f6e44-19
0.814
MAT-POS-e75f6e44-2
0.812
MAT-POS-e75f6e44-17
0.804
MAT-POS-e75f6e44-12
0.796
MAT-POS-e75f6e44-15
0.796
EDJ-MED-8bb691af-4
0.796
LUO-POS-868e8996-11
0.796
MAT-POS-c7726e07-5
0.796
LUO-POS-868e8996-12
0.796
MAT-POS-c7726e07-6
0.796
EDJ-MED-6b23330e-2
0.794
MAT-POS-e75f6e44-11
0.788
ALP-POS-ecbed2ba-12
0.784
MAT-POS-566864e2-2
0.784
MAT-POS-566864e2-1
0.784
EDJ-MED-6b23330e-1
0.777
EDJ-MED-6b23330e-7
0.777
EDJ-MED-6b23330e-4
0.769
BRU-THA-ae0174a8-1
0.767
EDJ-MED-6b23330e-6
0.762
MAT-POS-e75f6e44-13
0.762
LUO-POS-e1dab717-19
0.758
MAT-POS-69786b79-3
0.757
MAT-POS-e75f6e44-16
0.741
MAT-POS-e75f6e44-14
0.738
EDJ-MED-6b23330e-3
0.734
MAT-POS-69786b79-2
0.733
MIK-ENA-4a1c9a78-1
0.733
MIK-ENA-1494235a-1
0.733
MIK-ENA-4ed700b1-1
0.733
MAT-POS-e75f6e44-18
0.731
MAT-POS-e75f6e44-20
0.731
MAT-POS-e75f6e44-3
0.726
MAT-POS-e75f6e44-21
0.725
MAT-POS-69786b79-4
0.713
MAT-POS-e75f6e44-9
0.709
MAT-POS-e75f6e44-8
0.709
MIK-ENA-9eb8d9fb-1
0.703
ALP-POS-c3a90b22-6
0.682
ALP-POS-133e7cd9-1
0.679
EDJ-MED-40e596c8-1
0.657
VLA-UNK-3bd6fc51-1
0.651
MAT-POS-ddfe83c6-6
0.648
EDJ-MED-40e596c8-3
0.646
ALP-POS-ecbed2ba-6
0.643
EDJ-MED-b6c6ee2b-2
0.643
EDJ-MED-4cb9dd84-3
0.634
MAT-POS-38eb6498-5
0.628
EDJ-MED-40e596c8-2
0.628
EDJ-MED-b6c6ee2b-1
0.625
MAT-POS-38eb6498-3
0.625
LUO-POS-b4dec3be-1
0.625
MIK-ENA-610c7cf9-1
0.625
MIK-ENA-4bb8c98f-1
0.625
LUO-POS-b4dec3be-2
0.625
MAT-POS-b4d6b7fc-5
0.625
PET-UNK-7e9559de-4
0.619
MAT-POS-96396902-1
0.619
PET-UNK-7e9559de-1
0.619
VLA-UNK-5d8210f0-2
0.616
MAT-POS-69786b79-1
0.613
LUO-POS-e1dab717-1
0.613
ALP-POS-ecbed2ba-7
0.613
MAT-POS-576f7758-1
0.613
MAT-POS-566864e2-3
0.613
MAT-POS-566864e2-4
0.613
ALP-POS-afe0272e-1
0.609
EDJ-MED-7587a9ee-3
0.607
LUO-POS-ed2cfb03-2
0.606
ALP-POS-c3a90b22-7
0.605
EDJ-MED-cc48ee33-3
0.602
ALP-POS-c3a90b22-2
0.602
MIK-ENA-f73d8b60-1
0.600
EDJ-MED-59d5ca70-2
0.598
ALP-POS-ecbed2ba-10
0.596
MAT-POS-b4d6b7fc-7
0.593
ALP-POS-ecbed2ba-18
0.593
EDJ-MED-3707c4bc-2
0.593
MAT-POS-b4d6b7fc-6
0.588
MAT-POS-1d5ab790-2
0.588
MIK-ENA-30ee93be-1
0.587
ALP-POS-c3a90b22-4
0.586
EDJ-MED-cc48ee33-4
0.583
ALP-POS-ecbed2ba-20
0.582
MAT-POS-be048f2c-8
0.580
ALP-POS-ecbed2ba-3
0.579
VLA-UNK-5d8210f0-1
0.579
EDJ-MED-3707c4bc-1
0.579
ALP-POS-ecbed2ba-19
0.578
ALP-POS-ecbed2ba-21
0.576
JOH-MSK-4bb3d434-1
0.575
PET-UNK-df7eb4e6-1
0.574