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DocumentationIdentifier: MM57865
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57865 |
| SMILES |
CC#CC#CCNC
|
| InChIKey |
FKVVWOUDMUMSCW-UHFFFAOYSA-N
|
| MW [Da] |
107.16
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM455715
Similarity: 0.9487
Similarity to MM455715
| Tanimoto metric | 0.9487 |
|---|---|
| Cosine metric | 0.974 |
| Dice metric | 0.9737 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60609
Similarity: 0.9487
Similarity to MM60609
| Tanimoto metric | 0.9487 |
|---|---|
| Cosine metric | 0.974 |
| Dice metric | 0.9737 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57282
Similarity: 0.8605
Similarity to MM57282
| Tanimoto metric | 0.8605 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+329 more
