Molecule Details
| Molecular Properties | |
| SMILES: | COC(=O)C1(CCC(=O)O)CCOc2ccc(Cl)cc21 |
| MW: | 298.06 |
| Fraction sp3: | 0.43 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 72.83 |
| cLogP: | 2.4 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2020-11-17 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Ester
Long aliphatic chain
EDG-MED-21720aac-9
0.774
EDG-MED-21720aac-6
0.774
EDG-MED-21720aac-7
0.750
EDG-MED-21720aac-10
0.750
EDG-MED-21720aac-5
0.698
EDG-MED-21720aac-11
0.692
EDG-MED-21720aac-8
0.662
EDG-MED-21720aac-4
0.632
EDG-MED-971238d3-9
0.523
JAG-UCB-706446eb-3
0.523
EDG-MED-21720aac-1
0.522
EDG-MED-21720aac-2
0.522
EDG-MED-21720aac-3
0.493
EDJ-MED-28ec730d-1
0.469
EDJ-MED-28ec730d-2
0.468
RAL-THA-e002e396-11
0.462
EDG-MED-fe7487f8-7
0.460
EDG-MED-971238d3-10
0.457
RAL-THA-58fba2bc-1
0.457
MAT-POS-45b13633-4
0.457
MAT-POS-9db1e783-2
0.456
EDG-MED-971238d3-2
0.456
MAT-POS-45b13633-5
0.453
JAG-UCB-706446eb-2
0.449
JAG-UCB-706446eb-4
0.449
RAL-THA-e002e396-12
0.448
MAT-POS-e6dd326d-11
0.448
MAT-POS-e6dd326d-2
0.446
MAT-POS-45b13633-2
0.446
MAT-POS-e6dd326d-6
0.443
EDG-MED-971238d3-7
0.442
EDG-MED-971238d3-8
0.442
RAL-THA-58fba2bc-3
0.441
EDG-MED-971238d3-3
0.441
EDG-MED-971238d3-6
0.441
EDJ-MED-424a8a89-2
0.438
MAT-POS-e6dd326d-3
0.436
MAT-POS-45b13633-3
0.436
EDJ-MED-8c98ee63-1
0.436
MAT-POS-2bb0cf2b-1
0.435
MAT-POS-e6dd326d-1
0.435
EDG-MED-971238d3-5
0.435
MAT-POS-45b13633-1
0.435
EDJ-MED-15e90dfc-3
0.434
EDJ-MED-424a8a89-1
0.434
MAT-POS-e6dd326d-10
0.434
RAL-THA-e002e396-1
0.432
RAL-THA-e002e396-2
0.432
ALP-POS-9c80c481-1
0.430
RAL-THA-e002e396-7
0.429
MAT-POS-f9802937-5
0.427
MAT-POS-5d65ec79-2
0.427
EDJ-MED-f893e2a1-8
0.427
MAT-POS-f9802937-6
0.427
MAT-POS-e6dd326d-4
0.427
MAT-POS-e6dd326d-9
0.427
MIC-UNK-4ce148f7-2
0.426
RAL-THA-e002e396-13
0.424
MAT-POS-5d65ec79-1
0.423
MAT-POS-f9802937-4
0.423
MAT-POS-f9802937-3
0.423
MAT-POS-fc9ede84-1
0.422
JAG-UCB-706446eb-1
0.422
DAR-DIA-ecdbc7dd-13
0.421
DAR-DIA-6a508060-13
0.420
RAL-THA-e002e396-5
0.418
MAT-POS-e6dd326d-8
0.418
MAT-POS-e6dd326d-12
0.418
MIC-UNK-deda7a44-2
0.418
ALP-POS-477dc5b7-3
0.418
EDJ-MED-fcba3f31-2
0.417
MAT-POS-e6dd326d-7
0.416
DAR-DIA-ecdbc7dd-4
0.412
RAL-THA-e002e396-6
0.412
MIC-UNK-4ce148f7-3
0.411
MAT-POS-e6dd326d-5
0.410
MAT-POS-78e1d523-2
0.408
EDJ-MED-fcba3f31-5
0.408
EDJ-MED-fcba3f31-4
0.408
MAT-POS-e6dd326d-13
0.406
DAR-DIA-ecdbc7dd-16
0.406
EDJ-MED-fcba3f31-10
0.406
VLA-UCB-34f3ed0c-10
0.406
DAR-DIA-ecdbc7dd-3
0.404
MIC-UNK-deda7a44-3
0.404
EDJ-MED-4c7486ba-1
0.402
EDJ-MED-4c7486ba-4
0.402
DAR-DIA-ecdbc7dd-18
0.402
EDG-MED-70ae9412-2
0.402
DAR-DIA-ecdbc7dd-2
0.402
EDJ-MED-f893e2a1-3
0.402
EDJ-MED-15e90dfc-7
0.402
RAL-THA-e002e396-3
0.402
EDJ-MED-00143744-2
0.402
EDJ-MED-f893e2a1-4
0.400
MIC-UNK-deda7a44-1
0.400
ADA-UCB-b1b30a00-5
0.400
EDJ-MED-60df06f3-1
0.400
KAD-UNI-8a629cb0-27
0.398
EDJ-MED-40433386-4
0.398