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DocumentationIdentifier: MM145984
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145984 |
| SMILES |
C=C(F)C#CC(C)CC
|
| InChIKey |
GBEVASCORPGMBC-UHFFFAOYSA-N
|
| MW [Da] |
126.17
Automatically obtained from RDkit software. |
| LogP |
2.52
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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MM344935
Similarity: 0.9036
Similarity to MM344935
| Tanimoto metric | 0.9036 |
|---|---|
| Cosine metric | 0.9506 |
| Dice metric | 0.9494 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8427 |
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| Cosine metric | 0.918 |
| Dice metric | 0.9146 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.13 |
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Total active interactions
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MM228594
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Similarity to MM228594
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
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| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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