Drug Information

Drug ID:  NPD7376
Drug Name:  2-Mercaptoethane
Molecular Formula:  C2H6O3S2
Canonical SMILES:  SCCS(=O)(=O)O
Standard InCHI:  InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)
Standard InCHIKey:  ZNEWHQLOPFWXOF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7376

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
Remote Similarity 0.6333 NPC300059
Remote Similarity 0.6 NPC326758
Remote Similarity 0.6 NPC476548
Remote Similarity 0.6 NPC322658
Remote Similarity 0.5909 NPC323500
Remote Similarity 0.5625 NPC202651
Remote Similarity 0.56 NPC476549

Drug Structure

External Identifiers

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Drug Properties

Molecular Weight  141.98
ALogP  -0.0073
MLogP  1.13
XLogP  -0.23
HDA  3
HBD  1
Rotatable Bonds  4
TPSA  101.55
RO5 Violation  0