Drug Information

Drug ID:  NPD7383
Drug Name:  Ethylenediamine
Molecular Formula:  C2H8N2
Canonical SMILES:  NCCN
Standard InCHI:  InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
Standard InCHIKey:  PIICEJLVQHRZGT-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7383

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 0.8421 NPC309715
Intermediate Similarity 0.8095 NPC318947
Intermediate Similarity 0.8 NPC28081
Intermediate Similarity 0.8 NPC309330
Intermediate Similarity 0.7273 NPC306277
Intermediate Similarity 0.7143 NPC27869
Remote Similarity 0.6522 NPC119368
Remote Similarity 0.625 NPC125872
Remote Similarity 0.625 NPC83032
Remote Similarity 0.6154 NPC27675
Remote Similarity 0.6087 NPC326253
Remote Similarity 0.5926 NPC152949
Remote Similarity 0.5926 NPC193536

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  60.07
ALogP  -1.4766
MLogP  1.46
XLogP  -1.342
HDA  2
HBD  2
Rotatable Bonds  3
TPSA  52.04
RO5 Violation  0