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DocumentationIdentifier: MM234987
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234987 |
| SMILES |
CC(C)C(C)(O)CCCO
|
| InChIKey |
QBXNMEDPFCPAKP-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
1.17
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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MM446743
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| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8816 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138084
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| Cosine metric | 0.8609 |
| Dice metric | 0.8514 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM455998
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Similarity to MM455998
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8367 |
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| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+503 more
