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DocumentationIdentifier: MM375976
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375976 |
| SMILES |
CCC(C)C(CN)OC=O
|
| InChIKey |
IOACKRDAIFLSPA-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM64218
Similarity: 0.7167
Similarity to MM64218
| Tanimoto metric | 0.7167 |
|---|---|
| Cosine metric | 0.8466 |
| Dice metric | 0.835 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171981
Similarity: 0.6583
Similarity to MM171981
| Tanimoto metric | 0.6583 |
|---|---|
| Cosine metric | 0.8114 |
| Dice metric | 0.794 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272013
Similarity: 0.6544
Similarity to MM272013
| Tanimoto metric | 0.6544 |
|---|---|
| Cosine metric | 0.7929 |
| Dice metric | 0.7911 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
