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DocumentationIdentifier: MM230922
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM230922 |
| SMILES |
CC(C)(C)CNC1(C)CC1
|
| InChIKey |
CREKWUSBBFRGJN-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.17
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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| Tanimoto metric | 0.9036 |
|---|---|
| Cosine metric | 0.9506 |
| Dice metric | 0.9494 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM115700
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| Tanimoto metric | 0.7831 |
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| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 113.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM210330
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Similarity to MM210330
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8721 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
