Drug Information

Drug ID:  NPD8804
Drug Name:  Selenomethionine
Molecular Formula:  C5H11NO2Se
Canonical SMILES:  C[Se]CC[C@@H](C(=O)O)N
Standard InCHI:  InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
Standard InCHIKey:  RJFAYQIBOAGBLC-BYPYZUCNSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8804

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 NPC291186
High Similarity 1.0 NPC167986
High Similarity 0.9487 NPC168375
High Similarity 0.9487 NPC326992
High Similarity 0.9487 NPC121517
High Similarity 0.9487 NPC53449
High Similarity 0.881 NPC126925
High Similarity 0.881 NPC325097
High Similarity 0.881 NPC132307
High Similarity 0.8718 NPC63621
High Similarity 0.8605 NPC118459
High Similarity 0.8605 NPC327698
High Similarity 0.8537 NPC66043
Intermediate Similarity 0.8462 NPC21290
Intermediate Similarity 0.8462 NPC116709
Intermediate Similarity 0.8462 NPC272614
Intermediate Similarity 0.8182 NPC329263
Intermediate Similarity 0.8 NPC49952
Intermediate Similarity 0.8 NPC136476
Intermediate Similarity 0.7955 NPC198301
Intermediate Similarity 0.7872 NPC93888
Intermediate Similarity 0.7872 NPC170739
Intermediate Similarity 0.7872 NPC270805
Intermediate Similarity 0.7872 NPC162620
Intermediate Similarity 0.7872 NPC62045
Intermediate Similarity 0.7872 NPC43204
Intermediate Similarity 0.7872 NPC152451
Intermediate Similarity 0.7872 NPC84636
Intermediate Similarity 0.7872 NPC226027
Intermediate Similarity 0.7872 NPC174246
Intermediate Similarity 0.7872 NPC193989
Intermediate Similarity 0.7872 NPC245027
Intermediate Similarity 0.7826 NPC136159
Intermediate Similarity 0.7778 NPC285322
Intermediate Similarity 0.7778 NPC208793
Intermediate Similarity 0.7708 NPC315977
Intermediate Similarity 0.7674 NPC326212
Intermediate Similarity 0.7674 NPC237525
Intermediate Similarity 0.766 NPC153370
Intermediate Similarity 0.766 NPC93081
Intermediate Similarity 0.766 NPC140872
Intermediate Similarity 0.7619 NPC18188
Intermediate Similarity 0.7609 NPC309658
Intermediate Similarity 0.7609 NPC297220
Intermediate Similarity 0.7561 NPC9294
Intermediate Similarity 0.75 NPC328378
Intermediate Similarity 0.75 NPC324825
Intermediate Similarity 0.75 NPC112890
Intermediate Similarity 0.75 NPC316231
Intermediate Similarity 0.7447 NPC204364
Intermediate Similarity 0.74 NPC317815
Intermediate Similarity 0.7347 NPC137958
Intermediate Similarity 0.7347 NPC273330
Intermediate Similarity 0.7347 NPC125736
Intermediate Similarity 0.7255 NPC316889
Intermediate Similarity 0.7255 NPC321118
Intermediate Similarity 0.7234 NPC185755
Intermediate Similarity 0.7234 NPC198196
Intermediate Similarity 0.7234 NPC213876
Intermediate Similarity 0.7115 NPC102815
Intermediate Similarity 0.7115 NPC2801
Intermediate Similarity 0.7111 NPC226265
Intermediate Similarity 0.7111 NPC110533
Intermediate Similarity 0.7111 NPC219143
Intermediate Similarity 0.7111 NPC254482
Intermediate Similarity 0.7111 NPC317691
Intermediate Similarity 0.7111 NPC326808
Intermediate Similarity 0.7083 NPC181588
Intermediate Similarity 0.7059 NPC190184
Intermediate Similarity 0.7059 NPC197087
Remote Similarity 0.6981 NPC38463
Remote Similarity 0.6957 NPC276294
Remote Similarity 0.6923 NPC322091
Remote Similarity 0.6923 NPC279661
Remote Similarity 0.6923 NPC183845
Remote Similarity 0.6923 NPC60672
Remote Similarity 0.6863 NPC200550
Remote Similarity 0.6863 NPC155156
Remote Similarity 0.6852 NPC278209
Remote Similarity 0.6829 NPC114517
Remote Similarity 0.6809 NPC323974
Remote Similarity 0.6792 NPC327831
Remote Similarity 0.6727 NPC190385
Remote Similarity 0.6727 NPC176164
Remote Similarity 0.6727 NPC189301
Remote Similarity 0.6667 NPC114990
Remote Similarity 0.6667 NPC191136
Remote Similarity 0.6667 NPC126681
Remote Similarity 0.6667 NPC325985
Remote Similarity 0.6607 NPC321468
Remote Similarity 0.6607 NPC327748
Remote Similarity 0.6607 NPC316826
Remote Similarity 0.6607 NPC254541
Remote Similarity 0.6607 NPC317143
Remote Similarity 0.66 NPC227850
Remote Similarity 0.66 NPC327542
Remote Similarity 0.6545 NPC318260
Remote Similarity 0.6545 NPC317147
Remote Similarity 0.6531 NPC228932
Remote Similarity 0.6491 NPC321419
Remote Similarity 0.6491 NPC327170
Remote Similarity 0.6491 NPC329564
Remote Similarity 0.6481 NPC322573
Remote Similarity 0.6471 NPC286989
Remote Similarity 0.6429 NPC302003
Remote Similarity 0.6429 NPC11433
Remote Similarity 0.6429 NPC245346
Remote Similarity 0.6415 NPC329495
Remote Similarity 0.64 NPC316168
Remote Similarity 0.64 NPC118187
Remote Similarity 0.64 NPC101249
Remote Similarity 0.6346 NPC319175
Remote Similarity 0.6316 NPC320598
Remote Similarity 0.6316 NPC268927
Remote Similarity 0.6316 NPC276928
Remote Similarity 0.6316 NPC321536
Remote Similarity 0.6316 NPC64250
Remote Similarity 0.6296 NPC145235
Remote Similarity 0.6275 NPC318523
Remote Similarity 0.625 NPC107645
Remote Similarity 0.6226 NPC322946
Remote Similarity 0.6222 NPC69179
Remote Similarity 0.6207 NPC68974
Remote Similarity 0.6207 NPC143722
Remote Similarity 0.6207 NPC177191
Remote Similarity 0.62 NPC248970
Remote Similarity 0.62 NPC306238
Remote Similarity 0.619 NPC84444
Remote Similarity 0.619 NPC145217
Remote Similarity 0.6182 NPC10915
Remote Similarity 0.6154 NPC149209
Remote Similarity 0.6154 NPC17244
Remote Similarity 0.614 NPC112224
Remote Similarity 0.614 NPC93861
Remote Similarity 0.614 NPC327895
Remote Similarity 0.614 NPC43169
Remote Similarity 0.6136 NPC134570
Remote Similarity 0.6111 NPC263065
Remote Similarity 0.6111 NPC189178
Remote Similarity 0.6102 NPC322206
Remote Similarity 0.6102 NPC118429
Remote Similarity 0.6038 NPC50457
Remote Similarity 0.5965 NPC283786
Remote Similarity 0.5965 NPC82239
Remote Similarity 0.5957 NPC327250
Remote Similarity 0.5926 NPC155512
Remote Similarity 0.5926 NPC202525
Remote Similarity 0.5902 NPC226453
Remote Similarity 0.5902 NPC106216
Remote Similarity 0.5902 NPC103130
Remote Similarity 0.5902 NPC289691
Remote Similarity 0.5902 NPC88898
Remote Similarity 0.587 NPC216443
Remote Similarity 0.5818 NPC245768
Remote Similarity 0.5806 NPC325597
Remote Similarity 0.5806 NPC50047
Remote Similarity 0.5806 NPC278881
Remote Similarity 0.5806 NPC174304
Remote Similarity 0.5781 NPC81647
Remote Similarity 0.5714 NPC122768
Remote Similarity 0.5714 NPC61066
Remote Similarity 0.5714 NPC327985
Remote Similarity 0.5714 NPC151140
Remote Similarity 0.5714 NPC174368
Remote Similarity 0.5714 NPC325534
Remote Similarity 0.5714 NPC104195
Remote Similarity 0.5692 NPC133183
Remote Similarity 0.5692 NPC322274
Remote Similarity 0.5682 NPC260324
Remote Similarity 0.5652 NPC229838
Remote Similarity 0.5645 NPC315744
Remote Similarity 0.5636 NPC29950
Remote Similarity 0.5636 NPC19576
Remote Similarity 0.5625 NPC118524
Remote Similarity 0.5625 NPC60424
Remote Similarity 0.5625 NPC196359
Remote Similarity 0.5625 NPC314221
Remote Similarity 0.5625 NPC78312
Remote Similarity 0.5625 NPC221764
Remote Similarity 0.5625 NPC188231
Remote Similarity 0.5625 NPC135539
Remote Similarity 0.5625 NPC222327

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  197.00
ALogP  -1.3209
MLogP  1.57
XLogP  -2.108
HDA  3
HBD  2
Rotatable Bonds  7
TPSA  63.32
RO5 Violation  0