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DocumentationIdentifier: MM103452
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM103452 |
| SMILES |
N=C(N)CCC(N)=O
|
| InChIKey |
FCTUIRGUPBCYOC-UHFFFAOYSA-N
|
| MW [Da] |
115.14
Automatically obtained from RDkit software. |
| LogP |
-0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144824
Similarity: 0.7191
Similarity to MM144824
| Tanimoto metric | 0.7191 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8366 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144832
Similarity: 0.7111
Similarity to MM144832
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8312 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133700
Similarity: 0.64
Similarity to MM133700
| Tanimoto metric | 0.64 |
|---|---|
| Cosine metric | 0.8 |
| Dice metric | 0.7805 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+18 more
