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DocumentationIdentifier: MM366120
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM366120 |
| SMILES |
C#CCCCNC(=O)C#C
|
| InChIKey |
PVPOKUXQUJVCMS-UHFFFAOYSA-N
|
| MW [Da] |
135.17
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
MM365992
Similarity: 0.8172
Similarity to MM365992
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.8996 |
| Dice metric | 0.8994 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365990
Similarity: 0.7917
Similarity to MM365990
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8837 |
| Dice metric | 0.8837 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152886
Similarity: 0.7907
Similarity to MM152886
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8831 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+353 more
