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DocumentationIdentifier: MM435816
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM435816 |
| SMILES |
C#CCC1CN1C(C)C#C
|
| InChIKey |
OADFFAQADPCQFJ-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM210778
Similarity: 0.8611
Similarity to MM210778
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.928 |
| Dice metric | 0.9254 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM426595
Similarity: 0.8105
Similarity to MM426595
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.896 |
| Dice metric | 0.8953 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194802
Similarity: 0.7986
Similarity to MM194802
| Tanimoto metric | 0.7986 |
|---|---|
| Cosine metric | 0.8937 |
| Dice metric | 0.888 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+260 more
