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DocumentationIdentifier: MM171137
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171137 |
| SMILES |
CCCCC=C(C)C#N
|
| InChIKey |
QZYDBWBXTSTLDK-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
2.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM370154
Similarity: 0.9365
Similarity to MM370154
| Tanimoto metric | 0.9365 |
|---|---|
| Cosine metric | 0.9677 |
| Dice metric | 0.9672 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM439731
Similarity: 0.8806
Similarity to MM439731
| Tanimoto metric | 0.8806 |
|---|---|
| Cosine metric | 0.9384 |
| Dice metric | 0.9365 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM37365
Similarity: 0.8305
Similarity to MM37365
| Tanimoto metric | 0.8305 |
|---|---|
| Cosine metric | 0.9113 |
| Dice metric | 0.9074 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+774 more
