Molecule Details
| Molecular Properties | |
| SMILES: | COC(=O)C1(CO)CCOc2ccc(Cl)cc21 |
| MW: | 256.05 |
| Fraction sp3: | 0.42 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 55.76 |
| cLogP: | 1.53 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2020-11-17 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Ester
EDG-MED-21720aac-9
0.721
EDG-MED-21720aac-11
0.721
EDG-MED-21720aac-6
0.721
EDG-MED-21720aac-8
0.717
EDG-MED-21720aac-7
0.698
EDG-MED-21720aac-12
0.698
EDG-MED-21720aac-4
0.683
EDG-MED-21720aac-10
0.672
EDG-MED-21720aac-1
0.565
EDG-MED-21720aac-2
0.538
EDG-MED-21720aac-3
0.530
EDG-MED-971238d3-2
0.500
MAT-POS-9db1e783-2
0.500
EDG-MED-fe7487f8-7
0.488
RAL-THA-e002e396-11
0.472
EDJ-MED-28ec730d-2
0.462
MAT-POS-45b13633-5
0.462
RAL-THA-e002e396-12
0.457
MAT-POS-e6dd326d-2
0.455
MAT-POS-45b13633-2
0.455
ALP-POS-9c80c481-1
0.453
MAT-POS-e6dd326d-6
0.452
RAL-THA-58fba2bc-1
0.449
MAT-POS-45b13633-4
0.449
EDG-MED-971238d3-9
0.449
JAG-UCB-706446eb-3
0.449
RAL-THA-58fba2bc-3
0.449
EDG-MED-971238d3-3
0.449
EDG-MED-971238d3-10
0.449
EDJ-MED-28ec730d-1
0.447
MAT-POS-45b13633-3
0.444
MAT-POS-e6dd326d-3
0.444
MAT-POS-e6dd326d-1
0.443
EDG-MED-971238d3-5
0.443
MAT-POS-45b13633-1
0.443
MAT-POS-2bb0cf2b-1
0.443
EDJ-MED-15e90dfc-3
0.442
EDJ-MED-424a8a89-1
0.442
MAT-POS-e6dd326d-10
0.442
RAL-THA-e002e396-2
0.440
RAL-THA-e002e396-1
0.440
EDJ-MED-fcba3f31-2
0.439
MAT-POS-e6dd326d-9
0.435
EDG-MED-971238d3-8
0.435
MAT-POS-f9802937-5
0.435
MAT-POS-5d65ec79-2
0.435
EDJ-MED-f893e2a1-8
0.435
MAT-POS-f9802937-6
0.435
MAT-POS-e6dd326d-4
0.435
EDG-MED-971238d3-6
0.433
RAL-THA-e002e396-13
0.432
MAT-POS-f9802937-3
0.430
MAT-POS-5d65ec79-1
0.430
MAT-POS-f9802937-4
0.430
EDJ-MED-424a8a89-2
0.430
DAR-DIA-ecdbc7dd-13
0.429
EDJ-MED-fcba3f31-5
0.429
EDJ-MED-8c98ee63-1
0.429
MAT-POS-fc9ede84-1
0.429
JAG-UCB-706446eb-4
0.427
RAL-THA-e002e396-5
0.426
MAT-POS-e6dd326d-11
0.426
MAT-POS-e6dd326d-12
0.426
MAT-POS-e6dd326d-7
0.423
EDJ-MED-f893e2a1-3
0.423
RAL-THA-e002e396-7
0.421
EDG-MED-971238d3-7
0.419
RAL-THA-e002e396-6
0.419
DAR-DIA-ecdbc7dd-4
0.419
EDJ-MED-40433386-4
0.418
MIC-UNK-4ce148f7-2
0.418
RAL-THA-e002e396-8
0.417
MAT-POS-e6dd326d-5
0.417
MAT-POS-78e1d523-2
0.415
EDJ-MED-fcba3f31-4
0.414
DAR-DIA-6a508060-13
0.412
JAG-UCB-706446eb-2
0.412
MAT-POS-e6dd326d-13
0.412
ALP-POS-477dc5b7-3
0.411
DAR-DIA-ecdbc7dd-3
0.411
MAT-POS-e6dd326d-8
0.411
EDJ-MED-15e90dfc-7
0.408
RAL-THA-e002e396-3
0.408
EDJ-MED-4c7486ba-1
0.408
EDJ-MED-4c7486ba-4
0.408
DAR-DIA-ecdbc7dd-18
0.408
EDG-MED-70ae9412-2
0.408
DAR-DIA-ecdbc7dd-2
0.408
EDJ-MED-00143744-2
0.408
EDJ-MED-15e90dfc-5
0.404
MIC-UNK-4ce148f7-3
0.402
DAR-DIA-ecdbc7dd-5
0.402
DAR-DIA-ecdbc7dd-11
0.402
EDJ-MED-fcba3f31-3
0.402
EDJ-MED-fcba3f31-10
0.398
EDJ-MED-40433386-10
0.398
DAR-DIA-ecdbc7dd-16
0.398
EDJ-MED-fcba3f31-9
0.396
JAG-UCB-706446eb-8
0.396
MIC-UNK-deda7a44-2
0.396