Molecule Details
| Molecular Properties | |
| SMILES: | CNCCOc1ccc2cncc(N3CCC4(CN(C5(C(=O)NC)CC5)Cc5ccc(Cl)cc54)C3=O)c2c1 |
| MW: | 533.22 |
| Fraction sp3: | 0.41 |
| HBA: | 6 |
| HBD: | 2 |
| Rotatable Bonds: | 7 |
| TPSA: | 86.8 |
| cLogP: | 3.26 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2022-01-11 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Aliphatic long chain
LUO-POS-e1dab717-7
0.847
EDJ-MED-4138fde9-4
0.843
LUO-POS-e1dab717-5
0.796
LUO-POS-e1dab717-3
0.764
MAT-POS-566864e2-4
0.685
MAT-POS-69786b79-1
0.685
LUO-POS-e1dab717-1
0.685
ALP-POS-ecbed2ba-7
0.685
MAT-POS-576f7758-1
0.685
MAT-POS-566864e2-3
0.685
EDJ-MED-4138fde9-1
0.683
EDJ-MED-4138fde9-5
0.678
ALP-POS-c3a90b22-2
0.643
EDJ-MED-b6c6ee2b-1
0.637
MAT-POS-38eb6498-3
0.637
LUO-POS-e1dab717-9
0.612
ALP-POS-c3a90b22-10
0.612
MAT-POS-1a788f51-4
0.606
MIK-ENA-26b331e0-1
0.604
EDJ-MED-b6c6ee2b-2
0.600
MIK-ENA-30ee93be-1
0.600
ALP-POS-c3a90b22-4
0.600
MAT-POS-1a788f51-3
0.598
MAT-POS-1a788f51-1
0.594
EDJ-MED-59d5ca70-2
0.585
EDJ-MED-4138fde9-6
0.585
MAT-POS-1a788f51-2
0.585
LUO-POS-e1dab717-13
0.583
LUO-POS-e1dab717-8
0.580
MAT-POS-853c0ffa-19
0.577
EDJ-MED-dfa1d800-1
0.571
EDJ-MED-dfa1d800-5
0.571
EDJ-MED-4138fde9-2
0.569
MAT-POS-853c0ffa-10
0.568
EDJ-MED-dfa1d800-2
0.566
MAT-POS-38eb6498-1
0.564
MAT-POS-853c0ffa-9
0.564
LUO-POS-8484f2d3-2
0.564
LUO-POS-8484f2d3-1
0.564
MIK-ENA-7066949b-1
0.564
MIK-ENA-8063e9dc-1
0.564
MAT-POS-ddfe83c6-6
0.563
MAT-POS-40ad851a-4
0.560
EDJ-MED-dfa1d800-4
0.559
EDJ-MED-dfa1d800-3
0.558
MAT-POS-40ad851a-3
0.556
EDJ-MED-d4864bdc-1
0.554
MAT-POS-40ad851a-2
0.551
EDJ-MED-468565e0-5
0.548
EDJ-MED-468565e0-1
0.548
EDJ-MED-b6c6ee2b-5
0.546
MAT-POS-38eb6498-4
0.546
MAT-POS-40ad851a-5
0.540
EDJ-MED-468565e0-2
0.540
EDJ-MED-468565e0-4
0.536
MIK-ENA-f73d8b60-1
0.536
EDJ-MED-468565e0-3
0.536
EDJ-MED-ee81482e-3
0.532
LUO-POS-b4dec3be-2
0.532
MAT-POS-b4d6b7fc-5
0.532
LUO-POS-b4dec3be-1
0.532
MIK-ENA-610c7cf9-1
0.532
MIK-ENA-4bb8c98f-1
0.532
EDJ-MED-5cd3920d-3
0.531
LUO-POS-e1dab717-6
0.531
EDJ-MED-b6c6ee2b-3
0.531
MIK-ENA-60569a44-1
0.531
MIK-ENA-bb7b6957-1
0.531
MAT-POS-38eb6498-5
0.524
EDJ-MED-5cd3920d-1
0.519
EDJ-MED-ee81482e-1
0.511
MAT-POS-40ad851a-1
0.510
EDJ-MED-8bb691af-4
0.508
LUO-POS-868e8996-11
0.508
MAT-POS-c7726e07-5
0.508
LUO-POS-868e8996-12
0.508
MAT-POS-c7726e07-6
0.508
EDJ-MED-4cb9dd84-3
0.504
MAT-POS-ddfe83c6-1
0.504
MAT-POS-38eb6498-2
0.504
EDJ-MED-ee81482e-2
0.504
LUO-POS-d1147590-1
0.504
LUO-POS-e1dab717-4
0.500
EDJ-MED-3af0740c-2
0.500
ALP-POS-c3a90b22-6
0.492
EDJ-MED-b6c6ee2b-4
0.484
MIK-ENA-1494235a-1
0.484
MIK-ENA-4ed700b1-1
0.484
MIK-ENA-4a1c9a78-1
0.484
EDJ-MED-3af0740c-3
0.483
EDJ-MED-ee81482e-4
0.479
EDJ-MED-5cd3920d-2
0.474
MAT-POS-853c0ffa-14
0.474
EDJ-MED-5cd3920d-4
0.474
MAT-POS-853c0ffa-21
0.473
EDJ-MED-b6c6ee2b-7
0.473
EDG-MED-b1ef7fe3-1
0.472
LUO-POS-8c3e556a-1
0.472
LUO-POS-8c3e556a-2
0.472
MAT-POS-853c0ffa-12
0.471