Drug Information| Drug ID: | NPD9773 |
| Drug Name: | Iodoform |
| Molecular Formula: | CHI3 |
| Canonical SMILES: | IC(I)I |
| Standard InCHI: | InChI=1S/CHI3/c2-1(3)4/h1H |
| Standard InCHIKey: | OKJPEAGHQZHRQV-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 4 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9773Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| High Similarity | 1.0 | NPC78825 |
| High Similarity | 1.0 | NPC328339 |
| High Similarity | 1.0 | NPC119914 |
| High Similarity | 1.0 | NPC286641 |
| High Similarity | 1.0 | NPC299426 |
| High Similarity | 1.0 | NPC154476 |
| High Similarity | 1.0 | NPC291064 |
| High Similarity | 1.0 | NPC602865 |
| Remote Similarity | 0.6 | NPC100002 |
| Remote Similarity | 0.6 | NPC128350 |
| Remote Similarity | 0.6 | NPC328920 |
| Remote Similarity | 0.6 | NPC12798 |
| Remote Similarity | 0.6 | NPC595995 |
| TTD | |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 0 |
| ChEBI | |
| CAS Number |
| Molecular Weight | 393.72 |
| ALogP | 0.7184 |
| MLogP | 1.24 |
| XLogP | 3.688 |
| HDA | 0 |
| HBD | 0 |
| Rotatable Bonds | 3 |
| TPSA | 0 |
| RO5 Violation | 0 |