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DocumentationIdentifier: MM453755
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM453755 |
| SMILES |
CNCC#CCNCCN
|
| InChIKey |
GLIFLZYAXAPIEH-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
-1.24
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 | 0.9565 |
|---|---|
| Cosine metric | 0.978 |
| Dice metric | 0.9778 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8696 |
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| Cosine metric | 0.9325 |
| Dice metric | 0.9302 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM449569
Similarity: 0.8462
Similarity to MM449569
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9175 |
| Dice metric | 0.9167 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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