Drug Information

Drug ID:  NPD8868
Drug Name:  Hydroxyproline
Molecular Formula:  C5H9NO3
Canonical SMILES:  O[C@@H]1CNC(C1)C(=O)O
Standard InCHI:  InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4?/m0/s1
Standard InCHIKey:  PMMYEEVYMWASQN-WUCPZUCCSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD8868

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 NPC221764
High Similarity 1.0 NPC135539
High Similarity 1.0 NPC78312
High Similarity 1.0 NPC196359
High Similarity 0.875 NPC160661
High Similarity 0.8689 NPC11433
High Similarity 0.8689 NPC302003
High Similarity 0.8689 NPC245346
Intermediate Similarity 0.8358 NPC107224
Intermediate Similarity 0.7742 NPC272396
Intermediate Similarity 0.7656 NPC65832
Intermediate Similarity 0.7656 NPC311668
Intermediate Similarity 0.7656 NPC10262
Intermediate Similarity 0.7639 NPC185084
Intermediate Similarity 0.7465 NPC15864
Intermediate Similarity 0.7391 NPC472609
Intermediate Similarity 0.7286 NPC287693
Intermediate Similarity 0.7273 NPC190385
Intermediate Similarity 0.7222 NPC322274
Intermediate Similarity 0.7206 NPC8087
Intermediate Similarity 0.7206 NPC57846
Intermediate Similarity 0.7206 NPC30126
Intermediate Similarity 0.7206 NPC474014
Intermediate Similarity 0.7206 NPC62507
Intermediate Similarity 0.7164 NPC268927
Intermediate Similarity 0.7164 NPC64250
Intermediate Similarity 0.7164 NPC276928
Intermediate Similarity 0.7089 NPC219340
Intermediate Similarity 0.7067 NPC320221
Intermediate Similarity 0.7031 NPC333075
Intermediate Similarity 0.7031 NPC274499
Intermediate Similarity 0.7031 NPC8488
Remote Similarity 0.6935 NPC93081
Remote Similarity 0.6935 NPC140872
Remote Similarity 0.6901 NPC474928
Remote Similarity 0.6806 NPC473952
Remote Similarity 0.6806 NPC116377
Remote Similarity 0.6806 NPC101746
Remote Similarity 0.6806 NPC69798
Remote Similarity 0.6806 NPC77191
Remote Similarity 0.6761 NPC88898
Remote Similarity 0.6761 NPC106216
Remote Similarity 0.6753 NPC327272
Remote Similarity 0.6714 NPC118429
Remote Similarity 0.6667 NPC469363
Remote Similarity 0.6571 NPC68974
Remote Similarity 0.6567 NPC275727
Remote Similarity 0.6528 NPC103130
Remote Similarity 0.6528 NPC226453
Remote Similarity 0.6508 NPC136159
Remote Similarity 0.6508 NPC101249
Remote Similarity 0.6494 NPC29326
Remote Similarity 0.6452 NPC327698
Remote Similarity 0.6452 NPC118459
Remote Similarity 0.6447 NPC473710
Remote Similarity 0.6447 NPC475694
Remote Similarity 0.6429 NPC290106
Remote Similarity 0.6429 NPC76726
Remote Similarity 0.6429 NPC143809
Remote Similarity 0.6429 NPC193593
Remote Similarity 0.6418 NPC183845
Remote Similarity 0.6418 NPC279661
Remote Similarity 0.6393 NPC276294
Remote Similarity 0.6377 NPC278209
Remote Similarity 0.6364 NPC255535
Remote Similarity 0.6364 NPC299603
Remote Similarity 0.6364 NPC200550
Remote Similarity 0.6364 NPC155156
Remote Similarity 0.6364 NPC137554
Remote Similarity 0.6364 NPC28959
Remote Similarity 0.6364 NPC285014
Remote Similarity 0.6351 NPC327985
Remote Similarity 0.6308 NPC270805
Remote Similarity 0.6308 NPC324825
Remote Similarity 0.6308 NPC93888
Remote Similarity 0.6308 NPC316231
Remote Similarity 0.6308 NPC112890
Remote Similarity 0.629 NPC198301
Remote Similarity 0.6286 NPC204709
Remote Similarity 0.6282 NPC474468
Remote Similarity 0.625 NPC322206
Remote Similarity 0.6164 NPC306462
Remote Similarity 0.6164 NPC150680
Remote Similarity 0.6164 NPC218150
Remote Similarity 0.6164 NPC22774
Remote Similarity 0.6164 NPC2432
Remote Similarity 0.6164 NPC69669
Remote Similarity 0.6154 NPC306973
Remote Similarity 0.6133 NPC315980
Remote Similarity 0.6133 NPC325534
Remote Similarity 0.6111 NPC177191
Remote Similarity 0.6104 NPC133183
Remote Similarity 0.6092 NPC90476
Remote Similarity 0.6092 NPC69374
Remote Similarity 0.6076 NPC55274
Remote Similarity 0.6061 NPC43204
Remote Similarity 0.6061 NPC162620
Remote Similarity 0.6061 NPC226027
Remote Similarity 0.6061 NPC245027
Remote Similarity 0.6061 NPC174246
Remote Similarity 0.6061 NPC84636
Remote Similarity 0.6061 NPC62045
Remote Similarity 0.6056 NPC43169
Remote Similarity 0.6056 NPC112224
Remote Similarity 0.6056 NPC327895
Remote Similarity 0.6056 NPC93861
Remote Similarity 0.6 NPC198341
Remote Similarity 0.6 NPC471892
Remote Similarity 0.6 NPC223386
Remote Similarity 0.6 NPC75435
Remote Similarity 0.6 NPC471780
Remote Similarity 0.6 NPC126186
Remote Similarity 0.6 NPC278881
Remote Similarity 0.6 NPC142290
Remote Similarity 0.5976 NPC315780
Remote Similarity 0.597 NPC273330
Remote Similarity 0.597 NPC137958
Remote Similarity 0.5952 NPC100204
Remote Similarity 0.5952 NPC83248
Remote Similarity 0.5949 NPC328457
Remote Similarity 0.5942 NPC322091
Remote Similarity 0.5942 NPC60672
Remote Similarity 0.5938 NPC208793
Remote Similarity 0.5938 NPC285322
Remote Similarity 0.5921 NPC303798
Remote Similarity 0.5921 NPC286851
Remote Similarity 0.5909 NPC153370
Remote Similarity 0.5909 NPC327542
Remote Similarity 0.5889 NPC322966
Remote Similarity 0.5889 NPC275715
Remote Similarity 0.5882 NPC470783
Remote Similarity 0.5882 NPC475542
Remote Similarity 0.5857 NPC2801
Remote Similarity 0.5854 NPC470782
Remote Similarity 0.5846 NPC309658
Remote Similarity 0.5844 NPC118524
Remote Similarity 0.5833 NPC189301
Remote Similarity 0.5833 NPC176164
Remote Similarity 0.5806 NPC326992
Remote Similarity 0.5806 NPC168375
Remote Similarity 0.5806 NPC121517
Remote Similarity 0.5802 NPC208657
Remote Similarity 0.5797 NPC190184
Remote Similarity 0.5797 NPC197087
Remote Similarity 0.5789 NPC233034
Remote Similarity 0.5781 NPC323974
Remote Similarity 0.5775 NPC325985
Remote Similarity 0.5775 NPC38463
Remote Similarity 0.5769 NPC471418
Remote Similarity 0.5753 NPC254541
Remote Similarity 0.5753 NPC473599
Remote Similarity 0.5753 NPC320598
Remote Similarity 0.5747 NPC165119
Remote Similarity 0.5735 NPC27359
Remote Similarity 0.5735 NPC295832
Remote Similarity 0.5735 NPC198398
Remote Similarity 0.5714 NPC233108
Remote Similarity 0.5714 NPC294883
Remote Similarity 0.5714 NPC37681
Remote Similarity 0.5714 NPC12514
Remote Similarity 0.57 NPC128303
Remote Similarity 0.5696 NPC268922
Remote Similarity 0.5692 NPC329263
Remote Similarity 0.567 NPC158394
Remote Similarity 0.5658 NPC315744
Remote Similarity 0.5658 NPC57420
Remote Similarity 0.5644 NPC241394
Remote Similarity 0.5641 NPC141156
Remote Similarity 0.5641 NPC184150
Remote Similarity 0.5641 NPC59221
Remote Similarity 0.5634 NPC327831
Remote Similarity 0.5625 NPC291186
Remote Similarity 0.5625 NPC167986
Remote Similarity 0.5618 NPC277918
Remote Similarity 0.5604 NPC52533
Remote Similarity 0.56 NPC314510

Drug Structure

External Identifiers

TTD  
DrugBank   DB08847
ChEMBL   CHEMBL352418
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   18095
CAS Number  51-35-4

Drug Properties

Molecular Weight  131.06
ALogP  -1.6044
MLogP  1.57
XLogP  -0.786
HDA  4
HBD  3
Rotatable Bonds  3
TPSA  69.56
RO5 Violation  0