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:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8871

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 NPC273330
High Similarity 1.0 NPC137958
High Similarity 0.92 NPC2801
High Similarity 0.8511 NPC118459
High Similarity 0.8511 NPC327698
Intermediate Similarity 0.8431 NPC197087
Intermediate Similarity 0.8431 NPC190184
Intermediate Similarity 0.8364 NPC143722
Intermediate Similarity 0.8302 NPC325985
Intermediate Similarity 0.8125 NPC329263
Intermediate Similarity 0.8077 NPC189178
Intermediate Similarity 0.8077 NPC263065
Intermediate Similarity 0.8 NPC93081
Intermediate Similarity 0.8 NPC140872
Intermediate Similarity 0.7963 NPC38463
Intermediate Similarity 0.7931 NPC106216
Intermediate Similarity 0.7931 NPC88898
Intermediate Similarity 0.7857 NPC321536
Intermediate Similarity 0.7843 NPC226027
Intermediate Similarity 0.7843 NPC43204
Intermediate Similarity 0.7843 NPC174246
Intermediate Similarity 0.7843 NPC84636
Intermediate Similarity 0.7843 NPC62045
Intermediate Similarity 0.7843 NPC112890
Intermediate Similarity 0.7843 NPC162620
Intermediate Similarity 0.7843 NPC324825
Intermediate Similarity 0.7843 NPC245027
Intermediate Similarity 0.7843 NPC316231
Intermediate Similarity 0.7797 NPC50047
Intermediate Similarity 0.7778 NPC322573
Intermediate Similarity 0.7667 NPC325534
Intermediate Similarity 0.766 NPC121517
Intermediate Similarity 0.766 NPC168375
Intermediate Similarity 0.766 NPC326992
Intermediate Similarity 0.7609 NPC18188
Intermediate Similarity 0.7593 NPC279661
Intermediate Similarity 0.7593 NPC183845
Intermediate Similarity 0.7541 NPC222327
Intermediate Similarity 0.7541 NPC188231
Intermediate Similarity 0.7414 NPC68974
Intermediate Similarity 0.7347 NPC167986
Intermediate Similarity 0.7347 NPC291186
Intermediate Similarity 0.7347 NPC276294
Intermediate Similarity 0.7333 NPC289691
Intermediate Similarity 0.7213 NPC325597
Intermediate Similarity 0.7213 NPC174304
Intermediate Similarity 0.72 NPC325097
Intermediate Similarity 0.72 NPC323974
Intermediate Similarity 0.72 NPC132307
Intermediate Similarity 0.72 NPC126925
Intermediate Similarity 0.7059 NPC285322
Intermediate Similarity 0.7059 NPC208793
Remote Similarity 0.6984 NPC118524
Remote Similarity 0.6939 NPC66043
Remote Similarity 0.6939 NPC53449
Remote Similarity 0.6923 NPC49952
Remote Similarity 0.6923 NPC136476
Remote Similarity 0.6909 NPC29950
Remote Similarity 0.6909 NPC155156
Remote Similarity 0.6909 NPC200550
Remote Similarity 0.6909 NPC19576
Remote Similarity 0.6897 NPC278209
Remote Similarity 0.6885 NPC327252
Remote Similarity 0.6875 NPC319046
Remote Similarity 0.6809 NPC116709
Remote Similarity 0.6809 NPC272614
Remote Similarity 0.6809 NPC21290
Remote Similarity 0.6792 NPC101249
Remote Similarity 0.6792 NPC136159
Remote Similarity 0.678 NPC189301
Remote Similarity 0.678 NPC245346
Remote Similarity 0.678 NPC11433
Remote Similarity 0.678 NPC302003
Remote Similarity 0.678 NPC190385
Remote Similarity 0.678 NPC176164
Remote Similarity 0.6769 NPC126779
Remote Similarity 0.6727 NPC315977
Remote Similarity 0.6727 NPC125736
Remote Similarity 0.6667 NPC320598
Remote Similarity 0.6667 NPC64250
Remote Similarity 0.6667 NPC63621
Remote Similarity 0.6667 NPC268927
Remote Similarity 0.6667 NPC316826
Remote Similarity 0.6667 NPC321468
Remote Similarity 0.6667 NPC254541
Remote Similarity 0.6667 NPC317143
Remote Similarity 0.6667 NPC327748
Remote Similarity 0.6667 NPC327542
Remote Similarity 0.6667 NPC276928
Remote Similarity 0.6667 NPC153370
Remote Similarity 0.661 NPC317147
Remote Similarity 0.661 NPC318260
Remote Similarity 0.6604 NPC185755
Remote Similarity 0.6604 NPC213876
Remote Similarity 0.6604 NPC309658
Remote Similarity 0.66 NPC237525
Remote Similarity 0.66 NPC326212
Remote Similarity 0.6557 NPC177191
Remote Similarity 0.6557 NPC329564
Remote Similarity 0.6557 NPC327170
Remote Similarity 0.6545 NPC93888
Remote Similarity 0.6545 NPC193989
Remote Similarity 0.6545 NPC170739
Remote Similarity 0.6545 NPC152451
Remote Similarity 0.6545 NPC270805
Remote Similarity 0.6538 NPC198301
Remote Similarity 0.6522 NPC125575
Remote Similarity 0.6452 NPC118429
Remote Similarity 0.6429 NPC327239
Remote Similarity 0.6429 NPC50457
Remote Similarity 0.6316 NPC155512
Remote Similarity 0.6316 NPC322946
Remote Similarity 0.6296 NPC297220
Remote Similarity 0.6271 NPC327831
Remote Similarity 0.6271 NPC102815
Remote Similarity 0.625 NPC103130
Remote Similarity 0.625 NPC328378
Remote Similarity 0.625 NPC226453
Remote Similarity 0.6207 NPC317815
Remote Similarity 0.6182 NPC181588
Remote Similarity 0.6182 NPC204364
Remote Similarity 0.6154 NPC254482
Remote Similarity 0.6154 NPC317691
Remote Similarity 0.6154 NPC278881
Remote Similarity 0.6154 NPC326808
Remote Similarity 0.6154 NPC226265
Remote Similarity 0.6154 NPC219143
Remote Similarity 0.6154 NPC110533
Remote Similarity 0.614 NPC114990
Remote Similarity 0.6122 NPC9294
Remote Similarity 0.6102 NPC316889
Remote Similarity 0.6102 NPC322091
Remote Similarity 0.6102 NPC60672
Remote Similarity 0.6102 NPC321118
Remote Similarity 0.6061 NPC327985
Remote Similarity 0.6034 NPC202525
Remote Similarity 0.6 NPC206924
Remote Similarity 0.6 NPC228932
Remote Similarity 0.6 NPC198196
Remote Similarity 0.597 NPC221764
Remote Similarity 0.597 NPC135539
Remote Similarity 0.597 NPC196359
Remote Similarity 0.597 NPC314221
Remote Similarity 0.597 NPC78312
Remote Similarity 0.597 NPC60424
Remote Similarity 0.5965 NPC286989
Remote Similarity 0.5965 NPC17244
Remote Similarity 0.5932 NPC245768
Remote Similarity 0.5932 NPC329495
Remote Similarity 0.5893 NPC118187
Remote Similarity 0.5893 NPC316168
Remote Similarity 0.5882 NPC107224
Remote Similarity 0.5882 NPC325454
Remote Similarity 0.5833 NPC114517
Remote Similarity 0.5823 NPC90476
Remote Similarity 0.5823 NPC69374
Remote Similarity 0.5821 NPC287693
Remote Similarity 0.5797 NPC322274
Remote Similarity 0.5797 NPC15864
Remote Similarity 0.5797 NPC133183
Remote Similarity 0.5789 NPC227850
Remote Similarity 0.5789 NPC219340
Remote Similarity 0.5789 NPC318523
Remote Similarity 0.5775 NPC315897
Remote Similarity 0.5775 NPC185084
Remote Similarity 0.5741 NPC107645
Remote Similarity 0.5714 NPC112224
Remote Similarity 0.5714 NPC93861
Remote Similarity 0.5714 NPC319279
Remote Similarity 0.5714 NPC327895
Remote Similarity 0.5714 NPC43169
Remote Similarity 0.5692 NPC302188
Remote Similarity 0.5692 NPC322206
Remote Similarity 0.566 NPC240109
Remote Similarity 0.5652 NPC81647
Remote Similarity 0.5652 NPC126681
Remote Similarity 0.5634 NPC133700
Remote Similarity 0.5634 NPC328457
Remote Similarity 0.56 NPC314680

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
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