Molecule Details
| Molecular Properties | |
| SMILES: | COC(=O)C1(CN)CCOc2ccc(Cl)cc21 |
| MW: | 255.07 |
| Fraction sp3: | 0.42 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 61.55 |
| cLogP: | 1.49 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2020-11-17 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Ester
EDG-MED-21720aac-9
0.738
EDG-MED-21720aac-5
0.717
EDG-MED-21720aac-10
0.714
EDG-MED-21720aac-11
0.683
EDG-MED-21720aac-6
0.683
EDG-MED-21720aac-4
0.672
EDG-MED-21720aac-7
0.662
EDG-MED-21720aac-12
0.662
EDG-MED-21720aac-1
0.556
EDG-MED-21720aac-2
0.554
EDG-MED-21720aac-3
0.522
MAT-POS-2bb0cf2b-1
0.488
MAT-POS-e6dd326d-1
0.488
EDG-MED-971238d3-5
0.488
MAT-POS-45b13633-1
0.488
RAL-THA-e002e396-11
0.483
RAL-THA-e002e396-12
0.467
ALP-POS-9c80c481-1
0.448
MAT-POS-e6dd326d-6
0.447
EDG-MED-971238d3-6
0.444
EDJ-MED-28ec730d-2
0.441
MAT-POS-45b13633-5
0.441
MAT-POS-fc9ede84-1
0.439
MAT-POS-e6dd326d-2
0.433
MAT-POS-45b13633-2
0.433
EDG-MED-fe7487f8-7
0.430
EDG-MED-971238d3-7
0.430
RAL-THA-e002e396-13
0.427
EDJ-MED-28ec730d-1
0.427
EDG-MED-971238d3-2
0.427
MAT-POS-9db1e783-2
0.427
EDJ-MED-fcba3f31-5
0.424
EDJ-MED-fcba3f31-4
0.424
MAT-POS-e6dd326d-3
0.424
MAT-POS-45b13633-3
0.424
EDJ-MED-40433386-10
0.423
EDJ-MED-15e90dfc-3
0.423
EDJ-MED-424a8a89-1
0.423
MAT-POS-e6dd326d-10
0.423
JAG-UCB-706446eb-4
0.423
EDJ-MED-fcba3f31-2
0.420
RAL-THA-e002e396-1
0.419
RAL-THA-e002e396-2
0.419
MAT-POS-e6dd326d-7
0.418
EDJ-MED-00143744-2
0.417
MAT-POS-f9802937-5
0.415
MAT-POS-5d65ec79-2
0.415
EDJ-MED-f893e2a1-8
0.415
MAT-POS-f9802937-6
0.415
MAT-POS-e6dd326d-4
0.415
RAL-THA-e002e396-6
0.415
MAT-POS-e6dd326d-9
0.415
EDG-MED-971238d3-3
0.413
EDG-MED-971238d3-10
0.413
RAL-THA-58fba2bc-1
0.413
MAT-POS-45b13633-4
0.413
EDG-MED-971238d3-9
0.413
JAG-UCB-706446eb-3
0.413
RAL-THA-58fba2bc-3
0.413
EDJ-MED-fcba3f31-3
0.412
MAT-POS-5d65ec79-1
0.411
MAT-POS-f9802937-4
0.411
EDJ-MED-424a8a89-2
0.411
MAT-POS-f9802937-3
0.411
EDJ-MED-8c98ee63-1
0.410
DAR-DIA-ecdbc7dd-13
0.409
EDJ-MED-fcba3f31-10
0.408
RAL-THA-e002e396-5
0.406
MAT-POS-e6dd326d-12
0.406
ALP-POS-477dc5b7-3
0.406
JAG-UCB-706446eb-8
0.406
EDJ-MED-fcba3f31-9
0.406
ALP-POS-5de921e7-5
0.402
RAL-THA-e002e396-7
0.402
EDJ-MED-fcba3f31-8
0.402
EDJ-MED-00143744-1
0.402
EDJ-MED-60df06f3-1
0.402
EDG-MED-971238d3-8
0.400
DAR-DIA-ecdbc7dd-4
0.400
MAT-POS-e6dd326d-5
0.398
MIC-UNK-4ce148f7-3
0.398
MIC-UNK-4ce148f7-2
0.398
MAT-POS-78e1d523-2
0.396
MAT-POS-e6dd326d-13
0.394
DAR-DIA-6a508060-13
0.394
JAG-UCB-706446eb-2
0.394
LEE-CAM-7ab9b158-1
0.393
EDJ-MED-fcba3f31-12
0.393
DAR-DIA-ecdbc7dd-3
0.392
MAT-POS-e6dd326d-11
0.392
MAT-POS-e6dd326d-8
0.392
MIC-UNK-deda7a44-3
0.392
ALP-POS-5de921e7-6
0.391
ALP-POS-5de921e7-3
0.391
EDJ-MED-fcba3f31-7
0.390
KAD-UNI-b13decd3-3
0.390
MAT-POS-24589f88-12
0.390
EDJ-MED-4c7486ba-1
0.390
EDJ-MED-4c7486ba-4
0.390
DAR-DIA-ecdbc7dd-18
0.390