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DocumentationIdentifier: MM116036
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116036 |
| SMILES |
CCN(C=N)CCO
|
| InChIKey |
VQVJSLVFRQINLF-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
-0.09
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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MM178161
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| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM177955
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| Tanimoto metric | 0.7123 |
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| Cosine metric | 0.844 |
| Dice metric | 0.832 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108218
Similarity: 0.7059
Similarity to MM108218
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8276 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+303 more
