Drug Information

Drug ID:  NPD8809
Drug Name:  Ornithine
Molecular Formula:  C5H12N2O2
Canonical SMILES:  N[C@H](C(=O)O)CCCN
Standard InCHI:  InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
Standard InCHIKey:  AHLPHDHHMVZTML-BYPYZUCNSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8809

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 NPC140872
High Similarity 1.0 NPC93081
High Similarity 0.8936 NPC324825
High Similarity 0.8936 NPC112890
High Similarity 0.8936 NPC316231
High Similarity 0.8889 NPC118459
High Similarity 0.8889 NPC327698
High Similarity 0.8864 NPC276294
High Similarity 0.86 NPC183845
High Similarity 0.86 NPC279661
Intermediate Similarity 0.8163 NPC84636
Intermediate Similarity 0.8163 NPC226027
Intermediate Similarity 0.8163 NPC62045
Intermediate Similarity 0.8163 NPC245027
Intermediate Similarity 0.8163 NPC174246
Intermediate Similarity 0.8163 NPC43204
Intermediate Similarity 0.8163 NPC162620
Intermediate Similarity 0.8125 NPC101249
Intermediate Similarity 0.8085 NPC329263
Intermediate Similarity 0.8039 NPC197087
Intermediate Similarity 0.8039 NPC190184
Intermediate Similarity 0.8 NPC121517
Intermediate Similarity 0.8 NPC137958
Intermediate Similarity 0.8 NPC326992
Intermediate Similarity 0.8 NPC273330
Intermediate Similarity 0.8 NPC168375
Intermediate Similarity 0.7963 NPC11433
Intermediate Similarity 0.7963 NPC302003
Intermediate Similarity 0.7963 NPC245346
Intermediate Similarity 0.7872 NPC323974
Intermediate Similarity 0.7857 NPC118429
Intermediate Similarity 0.7778 NPC278209
Intermediate Similarity 0.766 NPC291186
Intermediate Similarity 0.766 NPC167986
Intermediate Similarity 0.7636 NPC189301
Intermediate Similarity 0.7636 NPC176164
Intermediate Similarity 0.7593 NPC38463
Intermediate Similarity 0.7593 NPC325985
Intermediate Similarity 0.7586 NPC226453
Intermediate Similarity 0.7586 NPC103130
Intermediate Similarity 0.75 NPC320598
Intermediate Similarity 0.75 NPC254541
Intermediate Similarity 0.75 NPC325097
Intermediate Similarity 0.75 NPC132307
Intermediate Similarity 0.75 NPC126925
Intermediate Similarity 0.7407 NPC2801
Intermediate Similarity 0.74 NPC136159
Intermediate Similarity 0.7368 NPC68974
Intermediate Similarity 0.7333 NPC327985
Intermediate Similarity 0.7255 NPC153370
Intermediate Similarity 0.7234 NPC66043
Intermediate Similarity 0.7234 NPC53449
Intermediate Similarity 0.7234 NPC237525
Intermediate Similarity 0.7234 NPC326212
Intermediate Similarity 0.72 NPC136476
Intermediate Similarity 0.72 NPC49952
Intermediate Similarity 0.7193 NPC321468
Intermediate Similarity 0.7193 NPC321536
Intermediate Similarity 0.7193 NPC276928
Intermediate Similarity 0.7193 NPC316826
Intermediate Similarity 0.7193 NPC317143
Intermediate Similarity 0.7193 NPC268927
Intermediate Similarity 0.7193 NPC64250
Intermediate Similarity 0.7193 NPC327748
Intermediate Similarity 0.7174 NPC18188
Intermediate Similarity 0.7143 NPC317147
Intermediate Similarity 0.7143 NPC318260
Intermediate Similarity 0.7111 NPC272614
Intermediate Similarity 0.7111 NPC116709
Intermediate Similarity 0.7111 NPC21290
Intermediate Similarity 0.7091 NPC322573
Intermediate Similarity 0.7069 NPC143722
Intermediate Similarity 0.7069 NPC327170
Intermediate Similarity 0.7069 NPC329564
Intermediate Similarity 0.7049 NPC287693
Intermediate Similarity 0.7018 NPC190385
Intermediate Similarity 0.7 NPC285322
Intermediate Similarity 0.7 NPC208793
Remote Similarity 0.6984 NPC133183
Remote Similarity 0.6984 NPC322274
Remote Similarity 0.6981 NPC125736
Remote Similarity 0.6981 NPC50457
Remote Similarity 0.6957 NPC63621
Remote Similarity 0.6935 NPC221764
Remote Similarity 0.6935 NPC78312
Remote Similarity 0.6935 NPC135539
Remote Similarity 0.6935 NPC196359
Remote Similarity 0.6935 NPC188231
Remote Similarity 0.6935 NPC222327
Remote Similarity 0.6885 NPC278881
Remote Similarity 0.6863 NPC213876
Remote Similarity 0.6863 NPC185755
Remote Similarity 0.6863 NPC309658
Remote Similarity 0.6863 NPC297220
Remote Similarity 0.6852 NPC155512
Remote Similarity 0.68 NPC198301
Remote Similarity 0.6792 NPC152451
Remote Similarity 0.6792 NPC270805
Remote Similarity 0.6792 NPC328378
Remote Similarity 0.6792 NPC193989
Remote Similarity 0.6792 NPC170739
Remote Similarity 0.6792 NPC93888
Remote Similarity 0.6769 NPC328457
Remote Similarity 0.6731 NPC181588
Remote Similarity 0.6721 NPC289691
Remote Similarity 0.6719 NPC15864
Remote Similarity 0.6667 NPC315977
Remote Similarity 0.6613 NPC174304
Remote Similarity 0.6613 NPC325597
Remote Similarity 0.6607 NPC322091
Remote Similarity 0.6607 NPC321118
Remote Similarity 0.6607 NPC60672
Remote Similarity 0.6607 NPC316889
Remote Similarity 0.6567 NPC320221
Remote Similarity 0.6545 NPC200550
Remote Similarity 0.6545 NPC322946
Remote Similarity 0.6545 NPC155156
Remote Similarity 0.6508 NPC325534
Remote Similarity 0.6491 NPC327831
Remote Similarity 0.6471 NPC327272
Remote Similarity 0.6452 NPC106216
Remote Similarity 0.6452 NPC88898
Remote Similarity 0.6429 NPC189178
Remote Similarity 0.6429 NPC333075
Remote Similarity 0.6429 NPC263065
Remote Similarity 0.6429 NPC8488
Remote Similarity 0.6429 NPC274499
Remote Similarity 0.6429 NPC317815
Remote Similarity 0.6418 NPC315897
Remote Similarity 0.6415 NPC204364
Remote Similarity 0.6406 NPC60424
Remote Similarity 0.6406 NPC314221
Remote Similarity 0.6406 NPC118524
Remote Similarity 0.64 NPC317691
Remote Similarity 0.64 NPC254482
Remote Similarity 0.64 NPC326808
Remote Similarity 0.64 NPC226265
Remote Similarity 0.64 NPC219143
Remote Similarity 0.64 NPC110533
Remote Similarity 0.6383 NPC9294
Remote Similarity 0.6364 NPC114990
Remote Similarity 0.6349 NPC50047
Remote Similarity 0.6308 NPC107224
Remote Similarity 0.6308 NPC319046
Remote Similarity 0.6296 NPC327542
Remote Similarity 0.625 NPC19576
Remote Similarity 0.625 NPC29950
Remote Similarity 0.623 NPC177191
Remote Similarity 0.6226 NPC198196
Remote Similarity 0.6212 NPC126779
Remote Similarity 0.6207 NPC102815
Remote Similarity 0.619 NPC315744
Remote Similarity 0.6167 NPC319279
Remote Similarity 0.614 NPC329495
Remote Similarity 0.6111 NPC316168
Remote Similarity 0.6094 NPC160661
Remote Similarity 0.6087 NPC114517
Remote Similarity 0.6071 NPC327239
Remote Similarity 0.6071 NPC319175
Remote Similarity 0.5968 NPC321419
Remote Similarity 0.5965 NPC202525
Remote Similarity 0.5942 NPC185084
Remote Similarity 0.5932 NPC10915
Remote Similarity 0.5926 NPC228932
Remote Similarity 0.5918 NPC69179
Remote Similarity 0.5909 NPC126681
Remote Similarity 0.5893 NPC17244
Remote Similarity 0.5893 NPC286989
Remote Similarity 0.5873 NPC322206
Remote Similarity 0.5862 NPC245768
Remote Similarity 0.5818 NPC118187
Remote Similarity 0.5781 NPC327252
Remote Similarity 0.5778 NPC174368
Remote Similarity 0.5763 NPC145235
Remote Similarity 0.5741 NPC191136
Remote Similarity 0.5714 NPC318523
Remote Similarity 0.5714 NPC227850
Remote Similarity 0.566 NPC107645
Remote Similarity 0.5645 NPC112224
Remote Similarity 0.5645 NPC327895
Remote Similarity 0.5645 NPC43169
Remote Similarity 0.5645 NPC93861
Remote Similarity 0.5625 NPC302188
Remote Similarity 0.5606 NPC472609

Drug Structure

External Identifiers

TTD  
DrugBank   DB00129
ChEMBL   CHEMBL446143
IUPHAR/BPS  
PharmaGKB   PA164783814
KEGG Drug  
PubChem CID  
ChEBI   15729
CAS Number  70-26-8

Drug Properties

Molecular Weight  132.09
ALogP  -2.4611
MLogP  1.57
XLogP  -3.307
HDA  4
HBD  3
Rotatable Bonds  7
TPSA  89.34
RO5 Violation  0