Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM296112
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296112 |
| SMILES |
C=CC=C(C)C(C)CC#N
|
| InChIKey |
QTUBDPBMLNMYAR-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174803
Similarity: 0.7925
Similarity to MM174803
| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8842 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175157
Similarity: 0.717
Similarity to MM175157
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8352 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72311
Similarity: 0.6885
Similarity to MM72311
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8159 |
| Dice metric | 0.8155 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
