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:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9773

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.


  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
High Similarity 1.0 NPC286641

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

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