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:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
Similarity 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.
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 |
---|---|---|
High Similarity | 1.0 | NPC286641 |
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 |