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DocumentationIdentifier: MM303829
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303829 |
| SMILES |
CC#CC(CC#N)CC#N
|
| InChIKey |
OKPJDNVYCVUVLM-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM379676
Similarity: 0.8421
Similarity to MM379676
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9147 |
| Dice metric | 0.9143 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379782
Similarity: 0.8205
Similarity to MM379782
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.9014 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379840
Similarity: 0.7805
Similarity to MM379840
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8767 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
