Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM437914
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM437914 |
| SMILES |
CC=CC1NC1C(C)C#N
|
| InChIKey |
BITAUZGZHNJUJK-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM210956
Similarity: 0.8421
Similarity to MM210956
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM427784
Similarity: 0.7767
Similarity to MM427784
| Tanimoto metric | 0.7767 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8743 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM345162
Similarity: 0.7175
Similarity to MM345162
| Tanimoto metric | 0.7175 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.8355 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
