Molecule Details
| Molecular Properties | |
| SMILES: | COC(=O)C1(CCCN)CCOc2ccc(Cl)cc21 |
| MW: | 283.1 |
| Fraction sp3: | 0.5 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 61.55 |
| cLogP: | 2.27 |
| 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
0.833
EDG-MED-21720aac-7
0.806
EDG-MED-21720aac-6
0.774
EDG-MED-21720aac-12
0.750
EDG-MED-21720aac-8
0.714
EDG-MED-21720aac-5
0.672
EDG-MED-21720aac-11
0.642
EDG-MED-21720aac-4
0.632
EDG-MED-21720aac-2
0.544
EDG-MED-21720aac-1
0.522
EDG-MED-971238d3-7
0.522
EDG-MED-21720aac-3
0.493
EDJ-MED-28ec730d-1
0.469
EDG-MED-971238d3-6
0.457
EDJ-MED-28ec730d-2
0.453
EDG-MED-971238d3-5
0.451
MAT-POS-45b13633-1
0.451
MAT-POS-2bb0cf2b-1
0.451
MAT-POS-e6dd326d-1
0.451
RAL-THA-e002e396-11
0.447
MAT-POS-e6dd326d-6
0.443
EDG-MED-971238d3-8
0.442
MAT-POS-45b13633-5
0.438
EDJ-MED-424a8a89-2
0.438
JAG-UCB-706446eb-4
0.434
RAL-THA-e002e396-12
0.433
MAT-POS-e6dd326d-2
0.430
MAT-POS-45b13633-2
0.430
EDG-MED-fe7487f8-7
0.427
EDG-MED-971238d3-9
0.426
JAG-UCB-706446eb-3
0.426
RAL-THA-58fba2bc-3
0.426
EDG-MED-971238d3-3
0.426
EDG-MED-971238d3-2
0.424
MAT-POS-9db1e783-2
0.424
EDJ-MED-8c98ee63-1
0.422
MAT-POS-45b13633-3
0.421
MAT-POS-e6dd326d-3
0.421
EDJ-MED-15e90dfc-3
0.420
EDJ-MED-424a8a89-1
0.420
MAT-POS-e6dd326d-10
0.420
RAL-THA-e002e396-2
0.417
RAL-THA-e002e396-1
0.417
ALP-POS-9c80c481-1
0.416
MAT-POS-e6dd326d-7
0.416
RAL-THA-e002e396-6
0.412
MAT-POS-e6dd326d-9
0.412
MAT-POS-f9802937-5
0.412
MAT-POS-5d65ec79-2
0.412
EDJ-MED-f893e2a1-8
0.412
MAT-POS-f9802937-6
0.412
MAT-POS-e6dd326d-4
0.412
RAL-THA-58fba2bc-1
0.411
MAT-POS-45b13633-4
0.411
EDG-MED-971238d3-10
0.411
MAT-POS-5d65ec79-1
0.408
MAT-POS-f9802937-4
0.408
MAT-POS-f9802937-3
0.408
MAT-POS-fc9ede84-1
0.408
DAR-DIA-ecdbc7dd-13
0.406
DAR-DIA-6a508060-13
0.406
JAG-UCB-706446eb-2
0.406
EDJ-MED-40433386-10
0.406
VLA-UCB-34f3ed0c-10
0.406
ALP-POS-477dc5b7-3
0.404
RAL-THA-e002e396-5
0.404
MAT-POS-e6dd326d-8
0.404
MAT-POS-e6dd326d-12
0.404
MIC-UNK-deda7a44-2
0.404
EDJ-MED-15e90dfc-7
0.402
RAL-THA-e002e396-7
0.400
EDJ-MED-f893e2a1-4
0.400
DAR-DIA-ecdbc7dd-4
0.398
EDJ-MED-fcba3f31-3
0.396
RAL-THA-e002e396-13
0.396
MAT-POS-e6dd326d-5
0.396
MIC-UNK-4ce148f7-2
0.396
MIC-UNK-4ce148f7-3
0.396
EDJ-MED-fcba3f31-5
0.394
EDJ-MED-fcba3f31-4
0.394
MAT-POS-78e1d523-2
0.394
MAT-POS-e6dd326d-13
0.392
JAG-UCB-706446eb-8
0.390
EDJ-MED-fcba3f31-2
0.390
DAR-DIA-ecdbc7dd-3
0.390
MAT-POS-e6dd326d-11
0.390
MIC-UNK-deda7a44-3
0.390
MAT-POS-24589f88-12
0.389
EDJ-MED-00143744-2
0.389
KAD-UNI-b13decd3-3
0.389
EDJ-MED-4c7486ba-1
0.388
EDJ-MED-4c7486ba-4
0.388
DAR-DIA-ecdbc7dd-18
0.388
EDG-MED-70ae9412-2
0.388
DAR-DIA-ecdbc7dd-2
0.388
MIC-UNK-deda7a44-1
0.386
ADA-UCB-b1b30a00-5
0.386
KAD-UNI-b13decd3-10
0.386
ALP-POS-5de921e7-1
0.385
KAD-UNI-8a629cb0-4
0.384