Molecular Properties | |
SMILES: | COc1cccc2[nH]c(=O)cc(C(=O)NCCOc3ccccc3Oc3ccn[nH]3)c12 |
MW: | 420.14 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 118.33 |
cLogP: | 2.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-11-07 |
Synthesis Location: | moonshot |
Shipped: | synthesis in progress |
Aliphatic long chain
EDJ-MED-6af13d92-3
EDJ-MED-6af13d92-3
0.729
EDJ-MED-bbe8e3da-2
0.696
EDJ-MED-bbe8e3da-4
0.677
VLA-UNK-eaa804fd-3
0.606
MAT-POS-3b536971-1
0.600
EDJ-MED-edeb0d3a-2
0.600
EDJ-MED-bbe8e3da-3
0.594
EDJ-MED-6af13d92-2
0.579
EDJ-MED-6af13d92-1
0.562
MAT-POS-916a2c5a-2
0.475
MAT-POS-590ac91e-42
0.452
MAT-POS-590ac91e-32
0.442
DAR-DIA-9e4459de-19
0.424
DAR-DIA-9e4459de-20
0.421
DAR-DIA-9e4459de-23
0.418
DAR-DIA-9e4459de-21
0.415
DAR-DIA-9e4459de-22
0.415
MAT-POS-35d3f55a-2
0.410
DAR-DIA-9e4459de-18
0.406
DAR-DIA-9e4459de-17
0.400
DAR-DIA-9e4459de-24
0.399
ALP-POS-3fc1724e-1
0.394
ALP-POS-05819dc4-1
0.394
EDJ-MED-edeb0d3a-3
0.378
ALP-POS-bea7b391-3
0.371
ALP-POS-bea7b391-2
0.368
BEN-DND-7e92b6ca-1
0.364
DAR-DIA-8e329c92-3
0.358
MAR-UCB-f313ec4d-2
0.358
MAT-POS-91829f0d-1
0.358
JOH-UNI-abfda500-3
0.355
DAR-DIA-8e329c92-2
0.355
MAT-UCB-70f7c0f7-1
0.353
DAR-DIA-8e329c92-1
0.352
ERI-UCB-ce40166b-15
0.350
MAT-POS-8fd29122-1
0.350
ERI-UCB-ce40166b-16
0.347
EDJ-MED-d1cd9639-2
0.345
DAR-DIA-1a77c53a-1
0.342
MAT-POS-3b536971-2
0.339
MAT-UCB-70f7c0f7-2
0.339
PET-UNK-752bebd6-1
0.337
BEN-DND-7e92b6ca-5
0.337
ALP-POS-fc6c627f-1
0.333
DAR-DIA-1a77c53a-18
0.328
DAR-DIA-1a77c53a-20
0.328
ERI-UCB-ce40166b-19
0.328
ERI-UCB-ce40166b-20
0.325
DAR-DIA-1a77c53a-7
0.325
ERI-UCB-ce40166b-25
0.325
NAU-LAT-a5c7d7cb-7
0.324
MAR-UCB-f313ec4d-4
0.324
DAR-DIA-1a77c53a-9
0.322
DAR-DIA-1a77c53a-2
0.322
MAT-POS-590ac91e-53
0.320
ERI-UCB-ce40166b-13
0.317
DAR-DIA-8e329c92-6
0.316
BEN-DND-7e92b6ca-2
0.315
DAR-DIA-1a77c53a-10
0.315
DAR-DIA-1a77c53a-11
0.315
MAT-POS-590ac91e-46
0.312
MAT-POS-590ac91e-47
0.312
ERI-UCB-ce40166b-17
0.311
ALP-POS-3fc1724e-2
0.311
DAR-DIA-1a77c53a-17
0.310
DAR-DIA-1a77c53a-8
0.309
DAR-DIA-1a77c53a-4
0.307
DAR-DIA-1a77c53a-24
0.307
DAR-DIA-1a77c53a-3
0.307
DAR-DIA-1a77c53a-19
0.307
MAT-POS-590ac91e-37
0.304
ERI-UCB-ce40166b-18
0.304
DAR-DIA-1a77c53a-14
0.304
ALP-POS-fc6c627f-3
0.303
ERI-UCB-ce40166b-14
0.303
DAR-DIA-8e329c92-4
0.302
MAT-POS-590ac91e-43
0.302
MAT-POS-54c4bf04-2
0.302
DAR-DIA-1a77c53a-23
0.302
DAR-DIA-1a77c53a-12
0.300
DAR-DIA-1a77c53a-13
0.300
DAR-DIA-8e329c92-10
0.298
DAR-DIA-1a77c53a-5
0.298
DAR-DIA-1a77c53a-6
0.298
DAR-DIA-8e329c92-7
0.293
MAR-UCB-f313ec4d-1
0.292
DAR-DIA-8e329c92-5
0.292
MAT-POS-590ac91e-40
0.288
MAT-POS-590ac91e-41
0.288
DAR-DIA-1a77c53a-22
0.284
DAR-DIA-1a77c53a-16
0.284
DAR-DIA-1a77c53a-15
0.281
DAR-DIA-1a77c53a-21
0.281
DAR-DIA-8e329c92-8
0.281
MAT-POS-590ac91e-38
0.277
MAT-POS-590ac91e-39
0.277
BEN-DND-b89db3f2-4
0.275
MAR-TRE-c8530538-52
0.268
MAR-TRE-c8530538-69
0.268
MAT-POS-35d3f55a-1
0.267