Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM98423
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM98423 |
| SMILES |
CC(C)C(C)C#N
|
| InChIKey |
ZMRCOHMOBLASFC-UHFFFAOYSA-N
|
| MW [Da] |
97.16
Automatically obtained from RDkit software. |
| LogP |
1.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35424
Similarity: 0.8235
Similarity to MM35424
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24454
Similarity: 0.7857
Similarity to MM24454
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 83.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-propan-2-ylpropanedinitrile
Similarity: 0.7778
Similarity to 2-propan-2-ylpropanedinitrile
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+281 more
