Drug Information| Drug ID: | NPD9227 |
| Drug Name: | milacemide |
| Molecular Formula: | C7H16N2O |
| Canonical SMILES: | CCCCCNCC(=N)O |
| Standard InCHI: | InChI=1S/C7H16N2O/c1-2-3-4-5-9-6-7(8)10/h9H,2-6H2,1H3,(H2,8,10) |
| Standard InCHIKey: | GJNNXIYZWIZFRH-UHFFFAOYSA-N |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9227Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient 
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| Intermediate Similarity | 0.8293 | NPC321202 |
| Intermediate Similarity | 0.8095 | NPC319114 |
| Intermediate Similarity | 0.7436 | NPC328698 |
| Remote Similarity | 0.6786 | NPC314510 |
| Remote Similarity | 0.675 | NPC320889 |
| Remote Similarity | 0.6429 | NPC216415 |
| Remote Similarity | 0.6429 | NPC328729 |
| Remote Similarity | 0.6429 | NPC476537 |
| Remote Similarity | 0.641 | NPC270175 |
| Remote Similarity | 0.641 | NPC193536 |
| Remote Similarity | 0.641 | NPC152949 |
| Remote Similarity | 0.6154 | NPC27675 |
| Remote Similarity | 0.6136 | NPC74599 |
| Remote Similarity | 0.6098 | NPC21157 |
| Remote Similarity | 0.6098 | NPC95589 |
| Remote Similarity | 0.587 | NPC473035 |
| Remote Similarity | 0.587 | NPC326791 |
| Remote Similarity | 0.587 | NPC270319 |
| Remote Similarity | 0.5849 | NPC110136 |
| Remote Similarity | 0.5818 | NPC272396 |
| Remote Similarity | 0.5778 | NPC203203 |
| Remote Similarity | 0.5745 | NPC167301 |
| Remote Similarity | 0.5738 | NPC315744 |
| Remote Similarity | 0.569 | NPC189301 |
| Remote Similarity | 0.569 | NPC176164 |
| Remote Similarity | 0.569 | NPC204709 |
| Remote Similarity | 0.5686 | NPC297220 |
| Remote Similarity | 0.5652 | NPC69179 |
| Remote Similarity | 0.5645 | NPC262615 |
| Remote Similarity | 0.561 | NPC232311 |
| Remote Similarity | 0.56 | NPC198301 |
| TTD | DIB015084 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 144.13 |
| ALogP | -1.5049 |
| MLogP | 1.9 |
| XLogP | 1.531 |
| HDA | 3 |
| HBD | 3 |
| Rotatable Bonds | 8 |
| TPSA | 56.11 |
| RO5 Violation | 0 |