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DocumentationIdentifier: MM302877
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302877 |
| SMILES |
C=CCNCC(=C)C(=C)C
|
| InChIKey |
HRUDUFLQQFEISP-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM80324
Similarity: 0.914
Similarity to MM80324
| Tanimoto metric | 0.914 |
|---|---|
| Cosine metric | 0.9553 |
| Dice metric | 0.9551 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76455
Similarity: 0.9121
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| Tanimoto metric | 0.9121 |
|---|---|
| Cosine metric | 0.955 |
| Dice metric | 0.954 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81770
Similarity: 0.8058
Similarity to MM81770
| Tanimoto metric | 0.8058 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.8925 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+388 more
