Drug Information

Drug ID:  NPD8785
Drug Name:  Glutamine
Molecular Formula:  C5H10N2O3
Canonical SMILES:  OC(=N)CC[C@@H](C(=O)O)N
Standard InCHI:  InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
Standard InCHIKey:  ZDXPYRJPNDTMRX-VKHMYHEASA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8785

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 NPC190184
High Similarity 1.0 NPC197087
High Similarity 0.9412 NPC38463
High Similarity 0.9412 NPC325985
High Similarity 0.8889 NPC321536
High Similarity 0.8846 NPC322573
High Similarity 0.8727 NPC143722
Intermediate Similarity 0.8431 NPC137958
Intermediate Similarity 0.8431 NPC273330
Intermediate Similarity 0.8276 NPC289691
Intermediate Similarity 0.8163 NPC327698
Intermediate Similarity 0.8163 NPC118459
Intermediate Similarity 0.8136 NPC174304
Intermediate Similarity 0.8136 NPC325597
Intermediate Similarity 0.8039 NPC153370
Intermediate Similarity 0.8039 NPC140872
Intermediate Similarity 0.8039 NPC93081
Intermediate Similarity 0.7925 NPC19576
Intermediate Similarity 0.7925 NPC29950
Intermediate Similarity 0.7895 NPC254541
Intermediate Similarity 0.7895 NPC317143
Intermediate Similarity 0.7895 NPC327748
Intermediate Similarity 0.7895 NPC321468
Intermediate Similarity 0.7895 NPC316826
Intermediate Similarity 0.7895 NPC320598
Intermediate Similarity 0.7885 NPC112890
Intermediate Similarity 0.7885 NPC316231
Intermediate Similarity 0.7885 NPC324825
Intermediate Similarity 0.7869 NPC118524
Intermediate Similarity 0.7818 NPC2801
Intermediate Similarity 0.78 NPC329263
Intermediate Similarity 0.7778 NPC263065
Intermediate Similarity 0.7778 NPC189178
Intermediate Similarity 0.7759 NPC327170
Intermediate Similarity 0.7759 NPC329564
Intermediate Similarity 0.7742 NPC319046
Intermediate Similarity 0.7719 NPC176164
Intermediate Similarity 0.7719 NPC189301
Intermediate Similarity 0.7647 NPC297220
Intermediate Similarity 0.7619 NPC126779
Intermediate Similarity 0.7547 NPC84636
Intermediate Similarity 0.7547 NPC62045
Intermediate Similarity 0.7547 NPC226027
Intermediate Similarity 0.7547 NPC245027
Intermediate Similarity 0.7547 NPC162620
Intermediate Similarity 0.7547 NPC43204
Intermediate Similarity 0.7547 NPC174246
Intermediate Similarity 0.7544 NPC318260
Intermediate Similarity 0.7544 NPC317147
Intermediate Similarity 0.7458 NPC68974
Intermediate Similarity 0.7407 NPC327239
Intermediate Similarity 0.7347 NPC168375
Intermediate Similarity 0.7347 NPC326992
Intermediate Similarity 0.7347 NPC121517
Intermediate Similarity 0.7321 NPC316889
Intermediate Similarity 0.7321 NPC321118
Intermediate Similarity 0.7222 NPC328378
Intermediate Similarity 0.7213 NPC327252
Intermediate Similarity 0.7193 NPC327831
Intermediate Similarity 0.7143 NPC325534
Intermediate Similarity 0.7059 NPC167986
Intermediate Similarity 0.7059 NPC276294
Intermediate Similarity 0.7059 NPC291186
Intermediate Similarity 0.7018 NPC183845
Intermediate Similarity 0.7018 NPC279661
Remote Similarity 0.6964 NPC322946
Remote Similarity 0.6949 NPC278209
Remote Similarity 0.6939 NPC18188
Remote Similarity 0.6923 NPC325097
Remote Similarity 0.6923 NPC132307
Remote Similarity 0.6923 NPC323974
Remote Similarity 0.6923 NPC126925
Remote Similarity 0.6852 NPC136159
Remote Similarity 0.6842 NPC329495
Remote Similarity 0.6825 NPC106216
Remote Similarity 0.6825 NPC88898
Remote Similarity 0.6786 NPC319175
Remote Similarity 0.6774 NPC118429
Remote Similarity 0.6719 NPC50047
Remote Similarity 0.6667 NPC66043
Remote Similarity 0.6667 NPC49952
Remote Similarity 0.6667 NPC326212
Remote Similarity 0.6667 NPC53449
Remote Similarity 0.6667 NPC136476
Remote Similarity 0.6667 NPC237525
Remote Similarity 0.6618 NPC328457
Remote Similarity 0.6613 NPC321419
Remote Similarity 0.6562 NPC226453
Remote Similarity 0.6562 NPC103130
Remote Similarity 0.6562 NPC315744
Remote Similarity 0.6557 NPC190385
Remote Similarity 0.6557 NPC11433
Remote Similarity 0.6557 NPC302003
Remote Similarity 0.6557 NPC245346
Remote Similarity 0.6545 NPC101249
Remote Similarity 0.6531 NPC272614
Remote Similarity 0.6531 NPC21290
Remote Similarity 0.6531 NPC116709
Remote Similarity 0.6522 NPC315897
Remote Similarity 0.6515 NPC222327
Remote Similarity 0.6515 NPC188231
Remote Similarity 0.6491 NPC125736
Remote Similarity 0.6481 NPC285322
Remote Similarity 0.6481 NPC208793
Remote Similarity 0.6462 NPC278881
Remote Similarity 0.6452 NPC276928
Remote Similarity 0.6452 NPC268927
Remote Similarity 0.6452 NPC64250
Remote Similarity 0.6441 NPC322091
Remote Similarity 0.6441 NPC60672
Remote Similarity 0.64 NPC69179
Remote Similarity 0.64 NPC63621
Remote Similarity 0.6379 NPC200550
Remote Similarity 0.6379 NPC155156
Remote Similarity 0.6364 NPC309658
Remote Similarity 0.6364 NPC185755
Remote Similarity 0.6364 NPC327985
Remote Similarity 0.6364 NPC213876
Remote Similarity 0.6316 NPC270805
Remote Similarity 0.6316 NPC152451
Remote Similarity 0.6316 NPC193989
Remote Similarity 0.6316 NPC93888
Remote Similarity 0.6316 NPC170739
Remote Similarity 0.6296 NPC198301
Remote Similarity 0.625 NPC181588
Remote Similarity 0.6207 NPC315977
Remote Similarity 0.6207 NPC50457
Remote Similarity 0.6176 NPC81647
Remote Similarity 0.614 NPC227850
Remote Similarity 0.614 NPC327542
Remote Similarity 0.6119 NPC470108
Remote Similarity 0.6102 NPC202525
Remote Similarity 0.6102 NPC155512
Remote Similarity 0.6094 NPC177191
Remote Similarity 0.6087 NPC472579
Remote Similarity 0.6087 NPC133183
Remote Similarity 0.6081 NPC314680
Remote Similarity 0.6056 NPC55274
Remote Similarity 0.6029 NPC470109
Remote Similarity 0.6 NPC245768
Remote Similarity 0.6 NPC317815
Remote Similarity 0.5972 NPC476248
Remote Similarity 0.5965 NPC204364
Remote Similarity 0.5946 NPC59867
Remote Similarity 0.5942 NPC470110
Remote Similarity 0.5932 NPC114990
Remote Similarity 0.5926 NPC326808
Remote Similarity 0.5926 NPC226265
Remote Similarity 0.5926 NPC254482
Remote Similarity 0.5926 NPC110533
Remote Similarity 0.5926 NPC317691
Remote Similarity 0.5926 NPC219143
Remote Similarity 0.5882 NPC287693
Remote Similarity 0.5882 NPC9294
Remote Similarity 0.5857 NPC322274
Remote Similarity 0.5849 NPC327250
Remote Similarity 0.5821 NPC57420
Remote Similarity 0.5806 NPC102815
Remote Similarity 0.5806 NPC10915
Remote Similarity 0.5797 NPC78312
Remote Similarity 0.5797 NPC60424
Remote Similarity 0.5797 NPC221764
Remote Similarity 0.5797 NPC314221
Remote Similarity 0.5797 NPC135539
Remote Similarity 0.5797 NPC196359
Remote Similarity 0.5789 NPC198196
Remote Similarity 0.5789 NPC306238
Remote Similarity 0.5789 NPC248970
Remote Similarity 0.5769 NPC84128
Remote Similarity 0.5769 NPC53858
Remote Similarity 0.5763 NPC17244
Remote Similarity 0.5758 NPC322206
Remote Similarity 0.5758 NPC477644
Remote Similarity 0.5714 NPC107224
Remote Similarity 0.5714 NPC43264
Remote Similarity 0.569 NPC316168
Remote Similarity 0.5667 NPC319110
Remote Similarity 0.5667 NPC329181
Remote Similarity 0.5658 NPC37681
Remote Similarity 0.5641 NPC475542
Remote Similarity 0.5641 NPC314466
Remote Similarity 0.5634 NPC15864
Remote Similarity 0.56 NPC114517
Remote Similarity 0.56 NPC125575

Drug Structure

External Identifiers

TTD   DIB003359
DrugBank   DB00130
ChEMBL   CHEMBL930
IUPHAR/BPS  
PharmaGKB   PA10090
KEGG Drug   D00015
PubChem CID   5961
ChEBI   58359
CAS Number  56-85-9

Drug Properties

Molecular Weight  146.07
ALogP  -1.4816
MLogP  1.46
XLogP  -2.943
HDA  5
HBD  4
Rotatable Bonds  7
TPSA  107.4
RO5 Violation  0