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DocumentationIdentifier: MM64900
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64900 |
| SMILES |
CC(C#N)CC(=O)CCO
|
| InChIKey |
UMIONGSJZMFLGQ-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142207
Similarity: 0.7579
Similarity to MM142207
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8623 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-(2-oxobutyl)propanedinitrile
Similarity: 0.6857
Similarity to 2-(2-oxobutyl)propanedinitrile
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.8158 |
| Dice metric | 0.8136 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262806
Similarity: 0.6857
Similarity to MM262806
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.8158 |
| Dice metric | 0.8136 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
