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DocumentationIdentifier: MM369153
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369153 |
| SMILES |
CC(C#N)C#CC#CC#N
|
| InChIKey |
RAMQDAWBTDOABH-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170861
Similarity: 0.873
Similarity to MM170861
| Tanimoto metric | 0.873 |
|---|---|
| Cosine metric | 0.9344 |
| Dice metric | 0.9322 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369102
Similarity: 0.8462
Similarity to MM369102
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9178 |
| Dice metric | 0.9167 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369191
Similarity: 0.7971
Similarity to MM369191
| Tanimoto metric | 0.7971 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8871 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+261 more
