Drug Information

Drug ID:  NPD8871
Drug Name:  Glutamic Acid Hydrochloride
Molecular Formula:  C5H9NO4.ClH
Canonical SMILES:  OC(=O)CC[C@@H](C(=O)O)N.Cl
Standard InCHI:  "InChI=1S/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/t3-;/m0./s1"
Standard InCHIKey:  RPAJSBKBKSSMLJ-DFWYDOINSA-N
Max Developmental Stage:  Phase 4
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8871

Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 0.9524 NPC137958
High Similarity 0.9524 NPC291473
High Similarity 0.9524 NPC273330
High Similarity 0.9524 NPC608456
High Similarity 0.9524 NPC608545
Remote Similarity 0.6154 NPC322532
Remote Similarity 0.6154 NPC611394
Remote Similarity 0.5926 NPC279661
Remote Similarity 0.5926 NPC183845
Remote Similarity 0.5926 NPC64745
Remote Similarity 0.5926 NPC137957
Remote Similarity 0.5926 NPC588364
Remote Similarity 0.5833 NPC607953
Remote Similarity 0.5833 NPC604272
Remote Similarity 0.5652 NPC63621
Remote Similarity 0.5652 NPC326992
Remote Similarity 0.5652 NPC320262
Remote Similarity 0.5652 NPC121517
Remote Similarity 0.5652 NPC168375
Remote Similarity 0.5652 NPC600066
Remote Similarity 0.56 NPC28446
Remote Similarity 0.56 NPC610748
Remote Similarity 0.5417 NPC208793
Remote Similarity 0.5417 NPC285322
Remote Similarity 0.5417 NPC118187
Remote Similarity 0.5417 NPC162282
Remote Similarity 0.5417 NPC605275
Remote Similarity 0.5417 NPC606035
Remote Similarity 0.5417 NPC611960
Remote Similarity 0.5385 NPC556582
Remote Similarity 0.52 NPC329263
Remote Similarity 0.52 NPC18188
Remote Similarity 0.52 NPC304470
Remote Similarity 0.52 NPC118459
Remote Similarity 0.52 NPC45410
Remote Similarity 0.52 NPC309658
Remote Similarity 0.52 NPC272830
Remote Similarity 0.52 NPC318523
Remote Similarity 0.52 NPC265829
Remote Similarity 0.52 NPC327698
Remote Similarity 0.52 NPC53449
Remote Similarity 0.52 NPC328956
Remote Similarity 0.52 NPC490188
Remote Similarity 0.52 NPC525794
Remote Similarity 0.52 NPC609525
Remote Similarity 0.52 NPC611767
Remote Similarity 0.5185 NPC257948
Remote Similarity 0.5185 NPC495324
Remote Similarity 0.5185 NPC578806

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   0
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  147.05
ALogP  -1.6398
MLogP  1.46
XLogP  -3.349
HDA  5
HBD  3
Rotatable Bonds  7
TPSA  100.62
RO5 Violation  0