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DocumentationIdentifier: MM57282
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57282 |
| SMILES |
C#CC#CC#CCNC
|
| InChIKey |
GGHGAKUVRWGSLX-UHFFFAOYSA-N
|
| MW [Da] |
117.15
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
MM455852
Similarity: 0.9556
Similarity to MM455852
| Tanimoto metric | 0.9556 |
|---|---|
| Cosine metric | 0.9775 |
| Dice metric | 0.9773 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57865
Similarity: 0.8605
Similarity to MM57865
| Tanimoto metric | 0.8605 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM458836
Similarity: 0.8431
Similarity to MM458836
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+329 more
