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DocumentationIdentifier: MM71901
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71901 |
| SMILES |
C#CCC(O)C(=O)CC#N
|
| InChIKey |
IMXPTZFNCANQMR-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172646
Similarity: 0.7647
Similarity to MM172646
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71916
Similarity: 0.6842
Similarity to MM71916
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8141 |
| Dice metric | 0.8125 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85091
Similarity: 0.669
Similarity to MM85091
| Tanimoto metric | 0.669 |
|---|---|
| Cosine metric | 0.8017 |
| Dice metric | 0.8017 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
