Log in
Browse 
Membranes
Search
Statistics
Lab
Documentation2-ethynylpentanedinitrile
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02007 |
| SMILES |
C#CC(C#N)CCC#N
|
| InChIKey |
RNONXBLTIXZSPV-UHFFFAOYSA-N
|
| MW [Da] |
118.14
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
87163070
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM328215
Similarity: 0.8873
Similarity to MM328215
| Tanimoto metric | 0.8873 |
|---|---|
| Cosine metric | 0.942 |
| Dice metric | 0.9403 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15283
Similarity: 0.8571
Similarity to MM15283
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199386
Similarity: 0.8406
Similarity to MM199386
| Tanimoto metric | 0.8406 |
|---|---|
| Cosine metric | 0.9134 |
| Dice metric | 0.9134 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+366 more
