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DocumentationIdentifier: MM408492
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM408492 |
| SMILES |
C=CC(CN)C(=C)CCN
|
| InChIKey |
WHCMDHQDSZJPKR-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197275
Similarity: 0.8515
Similarity to MM197275
| Tanimoto metric | 0.8515 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9198 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409074
Similarity: 0.8273
Similarity to MM409074
| Tanimoto metric | 0.8273 |
|---|---|
| Cosine metric | 0.9055 |
| Dice metric | 0.9055 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173224
Similarity: 0.7426
Similarity to MM173224
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8617 |
| Dice metric | 0.8523 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+263 more
