Drug Information

Drug ID:  NPD7368
Drug Name:  
Molecular Formula:  C2H5NO2.Al
Canonical SMILES:  [O-]C(=O)CN.[Al+]
Standard InCHI:  InChI=1S/C2H5NO2.Al/c3-1-2(4)5;/h1,3H2,(H,4,5);/q;+1/p-1
Standard InCHIKey:  IUMLQYHEHQCRKW-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7368

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 0.9231 NPC126681
Intermediate Similarity 0.75 NPC134570
Intermediate Similarity 0.7273 NPC272614
Intermediate Similarity 0.7273 NPC21290
Intermediate Similarity 0.7273 NPC116709
Intermediate Similarity 0.7059 NPC216443
Intermediate Similarity 0.7059 NPC69179
Intermediate Similarity 0.7059 NPC63621
Remote Similarity 0.6875 NPC114517
Remote Similarity 0.6562 NPC59650
Remote Similarity 0.6486 NPC168375
Remote Similarity 0.6486 NPC121517
Remote Similarity 0.6486 NPC53449
Remote Similarity 0.6486 NPC326212
Remote Similarity 0.6486 NPC326992
Remote Similarity 0.6486 NPC237525
Remote Similarity 0.6364 NPC260324
Remote Similarity 0.6316 NPC254482
Remote Similarity 0.6316 NPC317691
Remote Similarity 0.6316 NPC326808
Remote Similarity 0.6316 NPC219143
Remote Similarity 0.6316 NPC110533
Remote Similarity 0.6316 NPC226265
Remote Similarity 0.6154 NPC291186
Remote Similarity 0.6154 NPC167986
Remote Similarity 0.6 NPC40511
Remote Similarity 0.6 NPC132307
Remote Similarity 0.6 NPC230597
Remote Similarity 0.6 NPC198301
Remote Similarity 0.6 NPC325097
Remote Similarity 0.6 NPC126925
Remote Similarity 0.5946 NPC18188
Remote Similarity 0.5854 NPC285322
Remote Similarity 0.5854 NPC191136
Remote Similarity 0.5854 NPC118459
Remote Similarity 0.5854 NPC327698
Remote Similarity 0.5854 NPC329263
Remote Similarity 0.5854 NPC208793
Remote Similarity 0.5833 NPC9294
Remote Similarity 0.5714 NPC136476
Remote Similarity 0.5714 NPC213876
Remote Similarity 0.5714 NPC49952
Remote Similarity 0.5714 NPC198196
Remote Similarity 0.5714 NPC297220
Remote Similarity 0.5714 NPC185755
Remote Similarity 0.5714 NPC228932
Remote Similarity 0.5714 NPC309658
Remote Similarity 0.5667 NPC262962
Remote Similarity 0.5641 NPC66043

Drug Structure

External Identifiers

TTD   DAP000798
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   16683036
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  74.02
ALogP  -1.8693
MLogP  1.35
XLogP  -3.831
HDA  3
HBD  1
Rotatable Bonds  3
TPSA  66.15
RO5 Violation  0