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DocumentationIdentifier: MM271987
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM271987 |
| SMILES |
CCN(CCN)CC(F)F
|
| InChIKey |
LUPIOCDXFJXPJA-UHFFFAOYSA-N
|
| MW [Da] |
152.19
Automatically obtained from RDkit software. |
| LogP |
0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177796
Similarity: 0.7761
Similarity to MM177796
| Tanimoto metric | 0.7761 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.8739 |
| MW: | 134.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303396
Similarity: 0.7324
Similarity to MM303396
| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8455 |
| MW: | 152.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104183
Similarity: 0.6716
Similarity to MM104183
| Tanimoto metric | 0.6716 |
|---|---|
| Cosine metric | 0.8195 |
| Dice metric | 0.8036 |
| MW: | 123.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
