Molecule Details
| Molecular Properties | |
| SMILES: | COC(=O)C1(CCO)CCOc2ccc(Cl)cc21 |
| MW: | 270.07 |
| Fraction sp3: | 0.46 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 55.76 |
| cLogP: | 1.92 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2020-11-17 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Ester
Long aliphatic chain
EDG-MED-21720aac-7
0.833
EDG-MED-21720aac-9
0.831
EDG-MED-21720aac-10
0.774
EDG-MED-21720aac-12
0.774
EDG-MED-21720aac-5
0.721
EDG-MED-21720aac-8
0.683
EDG-MED-21720aac-4
0.677
EDG-MED-21720aac-11
0.662
EDG-MED-21720aac-1
0.538
EDG-MED-21720aac-2
0.537
EDG-MED-971238d3-3
0.517
RAL-THA-58fba2bc-3
0.517
EDG-MED-21720aac-3
0.507
EDG-MED-971238d3-8
0.484
EDJ-MED-28ec730d-1
0.479
EDJ-MED-28ec730d-2
0.478
RAL-THA-e002e396-11
0.473
MAT-POS-e6dd326d-2
0.472
MAT-POS-45b13633-2
0.472
MAT-POS-e6dd326d-6
0.468
EDG-MED-971238d3-2
0.466
MAT-POS-9db1e783-2
0.466
MAT-POS-45b13633-5
0.462
EDJ-MED-424a8a89-2
0.462
EDJ-MED-8c98ee63-1
0.459
EDJ-MED-424a8a89-1
0.458
MAT-POS-e6dd326d-10
0.458
EDJ-MED-15e90dfc-3
0.458
RAL-THA-e002e396-12
0.457
ALP-POS-9c80c481-1
0.454
EDG-MED-fe7487f8-7
0.453
EDG-MED-971238d3-7
0.452
MAT-POS-e6dd326d-4
0.452
MAT-POS-e6dd326d-9
0.452
EDJ-MED-f893e2a1-8
0.452
JAG-UCB-706446eb-3
0.451
EDG-MED-971238d3-6
0.451
EDG-MED-971238d3-9
0.451
MAT-POS-45b13633-3
0.446
MAT-POS-e6dd326d-3
0.446
MAT-POS-e6dd326d-1
0.444
EDG-MED-971238d3-5
0.444
MAT-POS-45b13633-1
0.444
MAT-POS-2bb0cf2b-1
0.444
JAG-UCB-706446eb-4
0.443
MAT-POS-e6dd326d-8
0.442
MAT-POS-e6dd326d-12
0.442
RAL-THA-e002e396-2
0.441
RAL-THA-e002e396-1
0.441
MAT-POS-e6dd326d-7
0.439
MAT-POS-f9802937-5
0.436
MAT-POS-5d65ec79-2
0.436
MAT-POS-f9802937-6
0.436
RAL-THA-58fba2bc-1
0.435
MAT-POS-45b13633-4
0.435
EDG-MED-971238d3-10
0.435
MAT-POS-e6dd326d-5
0.433
RAL-THA-e002e396-8
0.433
MAT-POS-f9802937-3
0.432
MAT-POS-5d65ec79-1
0.432
MAT-POS-f9802937-4
0.432
DAR-DIA-ecdbc7dd-13
0.430
MAT-POS-fc9ede84-1
0.430
EDJ-MED-fcba3f31-5
0.430
DAR-DIA-6a508060-13
0.429
JAG-UCB-706446eb-2
0.429
MAT-POS-e6dd326d-13
0.429
ALP-POS-477dc5b7-3
0.427
MAT-POS-e6dd326d-11
0.427
RAL-THA-e002e396-5
0.427
EDJ-MED-fcba3f31-2
0.426
EDJ-MED-4c7486ba-1
0.424
EDJ-MED-4c7486ba-4
0.424
EDG-MED-70ae9412-2
0.424
EDJ-MED-15e90dfc-7
0.424
EDJ-MED-f893e2a1-3
0.424
RAL-THA-e002e396-7
0.423
EDG-MED-ba1ac7b9-3
0.422
EDJ-MED-f893e2a1-4
0.422
RAL-THA-e002e396-6
0.421
DAR-DIA-ecdbc7dd-4
0.421
EDJ-MED-40433386-4
0.420
RAL-THA-e002e396-13
0.418
KAD-UNI-cb0f2bbc-10
0.418
MAT-POS-61f37a1a-1
0.418
EDJ-MED-15e90dfc-2
0.416
EDJ-MED-fcba3f31-4
0.416
EDJ-MED-40433386-10
0.414
DAR-DIA-ecdbc7dd-16
0.414
VLA-UCB-34f3ed0c-10
0.413
EDJ-MED-fcba3f31-10
0.413
DAR-DIA-ecdbc7dd-3
0.412
EDJ-MED-40433386-3
0.412
EDJ-MED-4c7486ba-9
0.412
EDJ-MED-4c7486ba-12
0.412
MAT-POS-3b97339c-1
0.412
EDJ-MED-40433386-7
0.412
DAR-DIA-ecdbc7dd-18
0.410
DAR-DIA-ecdbc7dd-2
0.410
EDJ-MED-00143744-2
0.410