Molecule Details
| Molecular Properties | |
| SMILES: | COc1cccc2c1OCC(NC(=O)c1cc(=O)[nH]c3ccc(F)cc13)C2 |
| MW: | 368.12 |
| Fraction sp3: | 0.2 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 80.42 |
| cLogP: | 2.41 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z1239273170 |
| MolPort: | MolPort-047-552-839 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-16 |
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-36
0.733
MAT-POS-590ac91e-39
0.461
MAT-POS-590ac91e-47
0.450
MAT-POS-590ac91e-41
0.433
MAT-POS-590ac91e-30
0.425
MAT-POS-590ac91e-33
0.376
ALP-UNI-ed5cdfd2-3
0.364
MAT-POS-590ac91e-48
0.351
MAT-UCB-70f7c0f7-4
0.343
MAT-POS-590ac91e-53
0.328
MAT-UCB-70f7c0f7-3
0.327
MAT-POS-590ac91e-42
0.321
MAT-POS-590ac91e-68
0.321
MAR-UCB-f313ec4d-4
0.321
NAU-LAT-56d5284e-7
0.321
MAT-POS-590ac91e-46
0.320
MAT-POS-590ac91e-38
0.319
MAT-POS-590ac91e-69
0.319
ADA-UCB-b1b30a00-2
0.316
MAT-POS-590ac91e-56
0.315
MAT-UCB-70f7c0f7-2
0.314
MAT-POS-590ac91e-32
0.312
MAT-POS-590ac91e-67
0.312
MAT-POS-590ac91e-64
0.304
NAU-LAT-56d5284e-4
0.301
MAT-POS-916a2c5a-2
0.300
DAR-DIA-8e329c92-4
0.298
MAT-POS-590ac91e-62
0.297
MAT-POS-590ac91e-40
0.296
ALP-POS-05819dc4-1
0.296
MAT-UCB-70f7c0f7-1
0.294
MAT-POS-590ac91e-31
0.293
MAT-POS-590ac91e-59
0.293
DAR-DIA-8e329c92-6
0.289
ERI-UCB-ce40166b-14
0.289
BEN-DND-7e92b6ca-13
0.288
DAR-DIA-8e329c92-8
0.288
MAT-POS-590ac91e-54
0.287
ALP-POS-3fc1724e-1
0.284
SAN-PRS-3c4a6997-5
0.283
EDJ-MED-bbe8e3da-3
0.282
ALP-POS-bea7b391-3
0.279
DAR-DIA-8e329c92-5
0.277
ALP-POS-bea7b391-2
0.276
ERI-UCB-a0b0dbcb-8
0.276
ERI-UCB-a0b0dbcb-6
0.274
DAR-DIA-1a77c53a-20
0.272
DAR-DIA-8e329c92-10
0.272
MAT-POS-54c4bf04-1
0.272
DAR-DIA-1a77c53a-22
0.271
ERI-UCB-ce40166b-13
0.270
MAT-POS-590ac91e-34
0.269
ALP-POS-bea7b391-1
0.269
DAR-DIA-8e329c92-7
0.268
EDJ-MED-6af13d92-2
0.267
ERI-UCB-a0b0dbcb-9
0.265
BEN-DND-7e92b6ca-15
0.265
MAT-POS-590ac91e-43
0.265
ERI-UCB-a0b0dbcb-5
0.264
KRI-MAR-d2e3ef86-15
0.263
EDJ-MED-d1cd9639-1
0.263
DAR-DIA-1a77c53a-16
0.261
MAT-POS-b5746674-78
0.261
LON-WEI-5e7d1b3e-14
0.261
LON-WEI-4d77710c-14
0.261
ERI-UCB-ce40166b-15
0.260
ERI-UCB-ce40166b-18
0.260
DAR-DIA-1a77c53a-15
0.259
MAT-POS-590ac91e-37
0.256
NAU-LAT-56d5284e-6
0.256
MAT-POS-590ac91e-51
0.256
DAR-DIA-1a77c53a-9
0.256
ALP-UNI-ed5cdfd2-4
0.254
EDJ-MED-bbe8e3da-2
0.254
DAR-DIA-1a77c53a-3
0.254
DAR-DIA-1a77c53a-4
0.254
EDJ-MED-6af13d92-3
0.252
NAU-LAT-a5c7d7cb-7
0.252
MAT-POS-3b536971-1
0.252
EDJ-MED-edeb0d3a-2
0.252
MAT-POS-590ac91e-50
0.252
MAT-POS-590ac91e-55
0.252
DAR-DIA-1a77c53a-18
0.252
BEN-DND-7e92b6ca-3
0.250
BEN-DND-7e92b6ca-4
0.250
MAT-POS-590ac91e-49
0.250
MAR-TRE-e86a56b5-38
0.250
DAR-DIA-1a77c53a-21
0.250
DAR-DIA-1a77c53a-7
0.248
ADA-UCB-b1b30a00-1
0.248
BEN-DND-7e92b6ca-5
0.248
MAT-POS-590ac91e-52
0.246
ALP-POS-3fc1724e-4
0.246
EDJ-MED-6af13d92-1
0.246
WIL-UNI-1faa9b10-36
0.246
DAR-DIA-1a77c53a-8
0.244
RAL-THA-05e671eb-23
0.244
VLA-UNK-eaa804fd-3
0.244
BEN-DND-7e92b6ca-2
0.243
BEN-DND-7e92b6ca-14
0.243