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DocumentationIdentifier: MM100674
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM100674 |
| SMILES |
CCCCOC=O
|
| InChIKey |
NMJJFJNHVMGPGM-UHFFFAOYSA-N
|
| MW [Da] |
102.13
Automatically obtained from RDkit software. |
| LogP |
0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM125582
Similarity: 0.8718
Similarity to MM125582
| Tanimoto metric | 0.8718 |
|---|---|
| Cosine metric | 0.9337 |
| Dice metric | 0.9315 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM212932
Similarity: 0.8293
Similarity to MM212932
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125580
Similarity: 0.8095
Similarity to MM125580
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
