Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM173388
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173388 |
| SMILES |
C=CCC(=C)C(C)C#N
|
| InChIKey |
GKDIMFCOBKSBKN-UHFFFAOYSA-N
|
| MW [Da] |
121.18
Automatically obtained from RDkit software. |
| LogP |
2.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM351492
Similarity: 0.78
Similarity to MM351492
| Tanimoto metric | 0.78 |
|---|---|
| Cosine metric | 0.8832 |
| Dice metric | 0.8764 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111893
Similarity: 0.7692
Similarity to MM111893
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173386
Similarity: 0.6848
Similarity to MM173386
| Tanimoto metric | 0.6848 |
|---|---|
| Cosine metric | 0.8129 |
| Dice metric | 0.8129 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+349 more
