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DocumentationIdentifier: MM293813
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293813 |
| SMILES |
C=C(CCN)C(=C)CCN
|
| InChIKey |
KIYPTTOBIKPVQZ-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173581
Similarity: 0.9706
Similarity to MM173581
| Tanimoto metric | 0.9706 |
|---|---|
| Cosine metric | 0.9852 |
| Dice metric | 0.9851 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108450
Similarity: 0.8235
Similarity to MM108450
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351681
Similarity: 0.7174
Similarity to MM351681
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.8437 |
| Dice metric | 0.8354 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+332 more
