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DocumentationIdentifier: MM245356
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245356 |
| SMILES |
C=CC(C)CC(C)C(=N)N
|
| InChIKey |
DOEPGIGGFHAYFU-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133614
Similarity: 0.73
Similarity to MM133614
| Tanimoto metric | 0.73 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8439 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303203
Similarity: 0.7018
Similarity to MM303203
| Tanimoto metric | 0.7018 |
|---|---|
| Cosine metric | 0.8251 |
| Dice metric | 0.8247 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303205
Similarity: 0.678
Similarity to MM303205
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8081 |
| Dice metric | 0.8081 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+420 more
