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DocumentationIdentifier: MM80324
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80324 |
| SMILES |
C=C(C)C(=C)CNCCC
|
| InChIKey |
COLFSDDOYCMXBQ-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM76455
Similarity: 0.954
Similarity to MM76455
| Tanimoto metric | 0.954 |
|---|---|
| Cosine metric | 0.9767 |
| Dice metric | 0.9765 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302877
Similarity: 0.914
Similarity to MM302877
| Tanimoto metric | 0.914 |
|---|---|
| Cosine metric | 0.9553 |
| Dice metric | 0.9551 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81770
Similarity: 0.8384
Similarity to MM81770
| Tanimoto metric | 0.8384 |
|---|---|
| Cosine metric | 0.913 |
| Dice metric | 0.9121 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+370 more
