Drug Information

Drug ID:  NPD7378
Drug Name:  Dimethyl Sulfoxide
Molecular Formula:  C2H6OS
Canonical SMILES:  CS(=O)C
Standard InCHI:  InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
Standard InCHIKey:  IAZDPXIOMUYVGZ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7378

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 NPC42017
Intermediate Similarity 0.8462 NPC256853
Intermediate Similarity 0.8333 NPC208362
Remote Similarity 0.5833 NPC194465
Remote Similarity 0.5714 NPC268218
Remote Similarity 0.5625 NPC323500

Drug Structure

External Identifiers

TTD  
DrugBank   DB01093
ChEMBL   CHEMBL504
IUPHAR/BPS  
PharmaGKB   PA449342
KEGG Drug   D01043
PubChem CID  
ChEBI   28262
CAS Number  67-68-5

Drug Properties

Molecular Weight  78.01
ALogP  -0.3166
MLogP  1.46
XLogP  -0.718
HDA  1
HBD  0
Rotatable Bonds  2
TPSA  36.28
RO5 Violation  0