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DocumentationIdentifier: MM442301
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM442301 |
| SMILES |
C=CC#CC1CN1CC=C
|
| InChIKey |
NNLSCROJZVPOJT-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
1.05
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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MM194954
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| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM217340
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| Tanimoto metric | 0.8452 |
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| Cosine metric | 0.9193 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
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|---|---|---|---|---|---|
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Total active interactions
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MM442377
Similarity: 0.7727
Similarity to MM442377
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8718 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+134 more
