Molecule Details
| Molecular Properties | |
| SMILES: | CCCN(CC1COc2ccccc2O1)C(=O)c1cc(=O)[nH]c2cc(F)ccc12 |
| MW: | 396.15 |
| Fraction sp3: | 0.27 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 71.63 |
| cLogP: | 3.36 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z1245866316 |
| Enamine Extended REAL: | s_22____729790____5448680 |
| Mcule: | MCULE-6491146220 |
| MolPort: | MolPort-047-552-964 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-16 |
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-34
0.733
MAT-POS-590ac91e-55
0.652
MAT-POS-590ac91e-31
0.609
MAT-POS-590ac91e-33
0.558
MAT-POS-590ac91e-51
0.546
MAT-POS-590ac91e-52
0.520
MAT-POS-590ac91e-37
0.450
MAT-POS-590ac91e-30
0.447
MAT-POS-54c4bf04-1
0.416
MAT-POS-590ac91e-32
0.394
MAT-POS-590ac91e-49
0.378
MAR-TRE-6a44bbf2-80
0.378
MAT-POS-590ac91e-38
0.374
MAT-POS-590ac91e-36
0.363
MAT-POS-590ac91e-40
0.361
MAT-POS-590ac91e-46
0.336
MAT-POS-590ac91e-57
0.333
ALP-UNI-ed5cdfd2-2
0.327
MAR-TRE-6a44bbf2-91
0.326
MAT-POS-590ac91e-63
0.319
MAT-POS-590ac91e-65
0.319
TAT-ENA-80bfd3e5-32
0.317
MAT-POS-fa06b69f-4
0.317
MAT-POS-590ac91e-61
0.316
MAT-POS-590ac91e-60
0.310
ALP-POS-19e898d3-1
0.303
BEN-DND-7e92b6ca-2
0.282
ALP-POS-19e898d3-2
0.276
MAT-POS-590ac91e-43
0.270
MAT-POS-590ac91e-48
0.267
MAR-TRE-a3327163-81
0.265
JAN-GHE-82a280f8-2
0.265
ALP-POS-fc6c627f-3
0.262
BEN-DND-7e92b6ca-14
0.259
BEN-DND-7e92b6ca-15
0.259
MAT-POS-590ac91e-39
0.256
BEN-DND-7e92b6ca-3
0.255
MAT-UCB-70f7c0f7-4
0.254
EDJ-MED-bbe8e3da-3
0.254
MAT-POS-590ac91e-35
0.252
EDJ-MED-6af13d92-2
0.250
DAR-DIA-8e329c92-4
0.248
MAT-POS-916a2c5a-2
0.248
ERI-UCB-a0b0dbcb-9
0.248
ALP-POS-ddb41b15-4
0.246
MAT-POS-590ac91e-41
0.246
EDJ-MED-6af13d92-3
0.246
MAR-TRE-74c6519b-11
0.244
MAT-UCB-70f7c0f7-3
0.244
JAN-GHE-82a280f8-3
0.244
BEN-DND-b89db3f2-5
0.244
EDJ-MED-edeb0d3a-1
0.244
ADA-UCB-b1b30a00-2
0.244
MAT-POS-590ac91e-42
0.237
ERI-UCB-ce40166b-21
0.236
ERI-UCB-a0b0dbcb-6
0.235
ERI-UCB-a0b0dbcb-10
0.235
MAR-UCB-f313ec4d-4
0.235
BEN-DND-7e92b6ca-12
0.233
MAR-UCB-f313ec4d-5
0.233
MAT-POS-590ac91e-47
0.233
ERI-UCB-ce40166b-14
0.232
ALP-POS-bea7b391-3
0.232
ALP-POS-ddb41b15-3
0.232
DEN-EUR-293438d2-1
0.232
BEN-DND-7e92b6ca-4
0.231
ADA-UCB-b1b30a00-1
0.231
DAR-DIA-8e329c92-5
0.230
EDJ-MED-6af13d92-1
0.229
EDJ-MED-bbe8e3da-2
0.228
ERI-UCB-a0b0dbcb-5
0.228
ERI-UCB-a0b0dbcb-8
0.227
BEN-DND-7e92b6ca-11
0.226
KRI-MAR-d2e3ef86-13
0.226
BEN-DND-7e92b6ca-13
0.226
ERI-UCB-a0b0dbcb-7
0.226
MAT-UCB-70f7c0f7-1
0.226
ALP-POS-3fc1724e-1
0.225
ERI-UCB-ce40166b-18
0.225
KRI-MAR-d2e3ef86-7
0.224
ERI-UCB-ce40166b-13
0.224
BEN-DND-7e92b6ca-16
0.223
EDJ-MED-edeb0d3a-3
0.223
ALP-POS-fc6c627f-1
0.223
DAR-DIA-8e329c92-8
0.223
ALP-POS-a2344586-3
0.223
DAR-DIA-8e329c92-7
0.222
DAR-DIA-8e329c92-10
0.222
ALP-POS-bea7b391-1
0.221
MAT-POS-590ac91e-54
0.220
ALP-POS-bea7b391-2
0.220
ALP-POS-3fc1724e-4
0.220
MAT-POS-590ac91e-56
0.220
ERI-UCB-a0b0dbcb-4
0.220
ALP-UNI-ed5cdfd2-3
0.220
DAR-DIA-8e329c92-6
0.218
MAT-POS-3b536971-2
0.218
ALP-UNI-ed5cdfd2-1
0.218
BEN-DND-7e92b6ca-5
0.218
MAT-POS-916a2c5a-4
0.218