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DocumentationIdentifier: MM340678
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340678 |
| SMILES |
NCC(CN)NCC(N)=O
|
| InChIKey |
MSQYGOASURWPHW-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-2.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144362
Similarity: 0.9067
Similarity to MM144362
| Tanimoto metric | 0.9067 |
|---|---|
| Cosine metric | 0.9522 |
| Dice metric | 0.951 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162179
Similarity: 0.7111
Similarity to MM162179
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8314 |
| Dice metric | 0.8312 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50968
Similarity: 0.68
Similarity to MM50968
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8095 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+110 more
