Drug Information

Drug ID:  NPD8216
Drug Name:  Serine
Molecular Formula:  C3H7NO3
Canonical SMILES:  OC[C@@H](C(=O)O)N
Standard InCHI:  InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
Standard InCHIKey:  MTCFGRXMJLQNBG-REOHCLBHSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD8216

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 NPC219143
High Similarity 1.0 NPC226265
Intermediate Similarity 0.8444 NPC270805
Intermediate Similarity 0.8444 NPC93888
Intermediate Similarity 0.8409 NPC181588
Intermediate Similarity 0.8205 NPC21290
Intermediate Similarity 0.8205 NPC116709
Intermediate Similarity 0.8205 NPC272614
Intermediate Similarity 0.8043 NPC286989
Intermediate Similarity 0.8 NPC63621
Intermediate Similarity 0.7917 NPC329495
Intermediate Similarity 0.7907 NPC107645
Intermediate Similarity 0.7447 NPC327542
Intermediate Similarity 0.7442 NPC121517
Intermediate Similarity 0.7442 NPC326992
Intermediate Similarity 0.7442 NPC326212
Intermediate Similarity 0.7442 NPC53449
Intermediate Similarity 0.7442 NPC168375
Intermediate Similarity 0.7442 NPC237525
Intermediate Similarity 0.7391 NPC309658
Intermediate Similarity 0.7273 NPC317691
Intermediate Similarity 0.7273 NPC326808
Intermediate Similarity 0.7273 NPC254482
Intermediate Similarity 0.7273 NPC110533
Intermediate Similarity 0.7234 NPC136159
Intermediate Similarity 0.717 NPC43169
Intermediate Similarity 0.717 NPC112224
Intermediate Similarity 0.717 NPC93861
Intermediate Similarity 0.717 NPC327895
Intermediate Similarity 0.7111 NPC167986
Intermediate Similarity 0.7111 NPC291186
Intermediate Similarity 0.7 NPC114517
Remote Similarity 0.6957 NPC325097
Remote Similarity 0.6957 NPC126925
Remote Similarity 0.6957 NPC132307
Remote Similarity 0.6957 NPC198301
Remote Similarity 0.6842 NPC126681
Remote Similarity 0.6809 NPC327698
Remote Similarity 0.6809 NPC329263
Remote Similarity 0.6809 NPC118459
Remote Similarity 0.6809 NPC285322
Remote Similarity 0.6809 NPC208793
Remote Similarity 0.675 NPC145217
Remote Similarity 0.675 NPC84444
Remote Similarity 0.6667 NPC66043
Remote Similarity 0.6667 NPC49952
Remote Similarity 0.6667 NPC185755
Remote Similarity 0.6667 NPC136476
Remote Similarity 0.6667 NPC213876
Remote Similarity 0.6667 NPC297220
Remote Similarity 0.6667 NPC228932
Remote Similarity 0.6531 NPC118187
Remote Similarity 0.6531 NPC316168
Remote Similarity 0.6531 NPC204364
Remote Similarity 0.6512 NPC9294
Remote Similarity 0.6415 NPC60672
Remote Similarity 0.6415 NPC322091
Remote Similarity 0.64 NPC140872
Remote Similarity 0.64 NPC318523
Remote Similarity 0.64 NPC93081
Remote Similarity 0.64 NPC153370
Remote Similarity 0.6275 NPC324825
Remote Similarity 0.6275 NPC245027
Remote Similarity 0.6275 NPC62045
Remote Similarity 0.6275 NPC112890
Remote Similarity 0.6275 NPC152451
Remote Similarity 0.6275 NPC43204
Remote Similarity 0.6275 NPC174246
Remote Similarity 0.6275 NPC193989
Remote Similarity 0.6275 NPC84636
Remote Similarity 0.6275 NPC226027
Remote Similarity 0.6275 NPC162620
Remote Similarity 0.6275 NPC316231
Remote Similarity 0.6275 NPC170739
Remote Similarity 0.625 NPC190385
Remote Similarity 0.6222 NPC18188
Remote Similarity 0.6154 NPC137958
Remote Similarity 0.6154 NPC125736
Remote Similarity 0.6154 NPC114990
Remote Similarity 0.6154 NPC273330
Remote Similarity 0.6154 NPC315977
Remote Similarity 0.6122 NPC191136
Remote Similarity 0.6053 NPC262962
Remote Similarity 0.6038 NPC200550
Remote Similarity 0.6038 NPC155156
Remote Similarity 0.6034 NPC68974
Remote Similarity 0.6 NPC2801
Remote Similarity 0.5968 NPC118524
Remote Similarity 0.5962 NPC328378
Remote Similarity 0.5952 NPC313303
Remote Similarity 0.5926 NPC197087
Remote Similarity 0.5926 NPC317815
Remote Similarity 0.5926 NPC190184
Remote Similarity 0.5909 NPC134570
Remote Similarity 0.5849 NPC198398
Remote Similarity 0.5849 NPC295832
Remote Similarity 0.5849 NPC27359
Remote Similarity 0.5849 NPC319175
Remote Similarity 0.5833 NPC105488
Remote Similarity 0.5818 NPC279661
Remote Similarity 0.5818 NPC321118
Remote Similarity 0.5818 NPC183845
Remote Similarity 0.5818 NPC316889
Remote Similarity 0.5818 NPC145235
Remote Similarity 0.5738 NPC106216
Remote Similarity 0.5738 NPC88898
Remote Similarity 0.5714 NPC141902
Remote Similarity 0.5714 NPC276294
Remote Similarity 0.5714 NPC102815
Remote Similarity 0.5714 NPC10915
Remote Similarity 0.5714 NPC327831
Remote Similarity 0.5686 NPC198196
Remote Similarity 0.5652 NPC69179
Remote Similarity 0.5652 NPC216443
Remote Similarity 0.5614 NPC325985
Remote Similarity 0.5614 NPC38463
Remote Similarity 0.5606 NPC315199
Remote Similarity 0.56 NPC323974

Drug Structure

External Identifiers

TTD  
DrugBank   DB00133
ChEMBL   CHEMBL11298
IUPHAR/BPS  
PharmaGKB   PA451330
KEGG Drug   D00016
PubChem CID  
ChEBI   33384
CAS Number  56-45-1

Drug Properties

Molecular Weight  105.04
ALogP  -1.5955
MLogP  1.35
XLogP  -3.956
HDA  4
HBD  3
Rotatable Bonds  5
TPSA  83.55
RO5 Violation  0