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DocumentationIdentifier: MM427921
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM427921 |
| SMILES |
C=CC(C=C)N1CC1C=C
|
| InChIKey |
SGGFYYKWXVDWMH-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM211026
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| Tanimoto metric | 0.9237 |
|---|---|
| Cosine metric | 0.9611 |
| Dice metric | 0.9604 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8305 |
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| Cosine metric | 0.9113 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.43 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM345240
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Similarity to MM345240
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|---|---|
| Cosine metric | 0.8636 |
| Dice metric | 0.8617 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
