Drug Information

Drug ID:  NPD9066
Drug Name:  
Molecular Formula:  C6H18OSi2
Canonical SMILES:  C[Si](O[Si](C)(C)C)(C)C
Standard InCHI:  InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3
Standard InCHIKey:  UQEAIHBTYFGYIE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9066

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
Intermediate Similarity 0.8235 NPC188413
Intermediate Similarity 0.7368 NPC219694
Remote Similarity 0.619 NPC217229

Drug Structure

External Identifiers

TTD   DIB013435
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  162.09
ALogP  4.1543
MLogP  1.79
XLogP  3.252
HDA  1
HBD  0
Rotatable Bonds  8
TPSA  9.23
RO5 Violation  0