Molecule Details
| Molecular Properties | |
| SMILES: | COC(=O)C1(CC(=O)O)CCOc2ccc(Cl)cc21 |
| MW: | 284.05 |
| Fraction sp3: | 0.38 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 72.83 |
| cLogP: | 2.01 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2020-11-17 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Ester
Long aliphatic chain
EDG-MED-21720aac-5
0.721
EDG-MED-21720aac-12
0.692
EDG-MED-21720aac-8
0.683
EDG-MED-21720aac-6
0.662
EDG-MED-21720aac-9
0.662
EDG-MED-21720aac-4
0.652
EDG-MED-21720aac-7
0.642
EDG-MED-21720aac-10
0.642
EDG-MED-21720aac-1
0.538
EDG-MED-21720aac-2
0.515
EDG-MED-21720aac-3
0.507
RAL-THA-58fba2bc-1
0.483
EDG-MED-971238d3-10
0.483
MAT-POS-45b13633-4
0.483
MAT-POS-45b13633-5
0.447
RAL-THA-e002e396-11
0.441
EDG-MED-fe7487f8-7
0.437
EDG-MED-971238d3-9
0.435
JAG-UCB-706446eb-3
0.435
EDG-MED-971238d3-2
0.433
MAT-POS-9db1e783-2
0.433
EDJ-MED-28ec730d-2
0.432
RAL-THA-e002e396-12
0.427
MAT-POS-e6dd326d-11
0.427
MAT-POS-45b13633-2
0.424
MAT-POS-e6dd326d-2
0.424
MAT-POS-e6dd326d-6
0.423
MAT-POS-f9802937-6
0.421
MAT-POS-5d65ec79-2
0.421
MAT-POS-f9802937-5
0.421
MIC-UNK-4ce148f7-2
0.419
EDJ-MED-28ec730d-1
0.418
MAT-POS-f9802937-3
0.417
MAT-POS-f9802937-4
0.417
MAT-POS-5d65ec79-1
0.417
MAT-POS-45b13633-3
0.415
MAT-POS-e6dd326d-3
0.415
MAT-POS-e6dd326d-10
0.414
EDJ-MED-15e90dfc-3
0.414
EDJ-MED-424a8a89-1
0.414
MAT-POS-e6dd326d-1
0.413
EDG-MED-971238d3-5
0.413
MAT-POS-2bb0cf2b-1
0.413
MAT-POS-45b13633-1
0.413
RAL-THA-e002e396-2
0.411
RAL-THA-e002e396-1
0.411
ALP-POS-9c80c481-1
0.410
MAT-POS-e6dd326d-9
0.406
EDJ-MED-f893e2a1-8
0.406
MAT-POS-e6dd326d-4
0.406
EDG-MED-971238d3-3
0.404
EDG-MED-971238d3-6
0.404
RAL-THA-58fba2bc-3
0.404
MIC-UNK-4ce148f7-3
0.404
RAL-THA-e002e396-13
0.404
EDJ-MED-424a8a89-2
0.402
MAT-POS-78e1d523-2
0.402
EDJ-MED-8c98ee63-1
0.402
MAT-POS-fc9ede84-1
0.402
JAG-UCB-706446eb-2
0.400
JAG-UCB-706446eb-4
0.400
DAR-DIA-ecdbc7dd-13
0.400
EDJ-MED-fcba3f31-2
0.398
MAT-POS-e6dd326d-12
0.398
RAL-THA-e002e396-5
0.398
MAT-POS-e6dd326d-7
0.396
RAL-THA-e002e396-7
0.394
EDG-MED-971238d3-8
0.392
DAR-DIA-ecdbc7dd-4
0.392
RAL-THA-e002e396-6
0.392
EDG-MED-971238d3-7
0.392
MAT-POS-e6dd326d-5
0.390
EDJ-MED-fcba3f31-5
0.388
EDJ-MED-fcba3f31-4
0.388
DAR-DIA-6a508060-13
0.386
MAT-POS-e6dd326d-13
0.386
MAT-POS-3b97339c-1
0.385
EDJ-MED-40433386-7
0.385
EDJ-MED-40433386-3
0.385
EDJ-MED-4c7486ba-12
0.385
EDJ-MED-4c7486ba-9
0.385
ALP-POS-477dc5b7-3
0.384
DAR-DIA-ecdbc7dd-3
0.384
MAT-POS-e6dd326d-8
0.384
MIC-UNK-deda7a44-2
0.384
EDJ-MED-00143744-2
0.383
RAL-THA-e002e396-3
0.382
DAR-DIA-ecdbc7dd-2
0.382
EDG-MED-70ae9412-2
0.382
EDJ-MED-f893e2a1-3
0.382
DAR-DIA-ecdbc7dd-18
0.382
EDJ-MED-15e90dfc-7
0.382
EDJ-MED-4c7486ba-1
0.382
EDJ-MED-4c7486ba-4
0.382
ALP-POS-5de921e7-6
0.382
CHO-MSK-a31cca77-1
0.381
EDJ-MED-d203f206-1
0.381
EDJ-MED-d203f206-20
0.381
EDG-MED-971238d3-11
0.380
MIC-UNK-4ce148f7-4
0.380