Drug Information

Drug ID:  NPD1102
Drug Name:  Viloxazine Hydrochloride
Molecular Formula:  C13H19NO3.ClH
Canonical SMILES:  CCOc1ccccc1OCC1CNCCO1.Cl
Standard InCHI:  InChI=1S/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H
Standard InCHIKey:  HJOCKFVCMLCPTP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1102

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 0.8509 NPC95977
Intermediate Similarity 0.8182 NPC313918
Intermediate Similarity 0.8016 NPC136112
Intermediate Similarity 0.8016 NPC320242
Intermediate Similarity 0.8016 NPC141739
Intermediate Similarity 0.7845 NPC41594
Intermediate Similarity 0.7652 NPC247018
Intermediate Similarity 0.7652 NPC307123
Intermediate Similarity 0.7652 NPC97870
Intermediate Similarity 0.7523 NPC206876
Intermediate Similarity 0.75 NPC231163
Intermediate Similarity 0.75 NPC298486
Intermediate Similarity 0.75 NPC318591
Intermediate Similarity 0.7442 NPC328267
Intermediate Similarity 0.7328 NPC314803
Intermediate Similarity 0.7206 NPC160692
Intermediate Similarity 0.719 NPC258171
Intermediate Similarity 0.7168 NPC318429
Intermediate Similarity 0.7165 NPC120075
Intermediate Similarity 0.7143 NPC206372
Intermediate Similarity 0.7143 NPC203424
Intermediate Similarity 0.7122 NPC253429
Intermediate Similarity 0.712 NPC26524
Intermediate Similarity 0.7101 NPC209195
Intermediate Similarity 0.7101 NPC13826
Intermediate Similarity 0.7092 NPC204546
Intermediate Similarity 0.7073 NPC24777
Intermediate Similarity 0.7029 NPC274441
Intermediate Similarity 0.7023 NPC211992
Remote Similarity 0.6985 NPC262641
Remote Similarity 0.6983 NPC114325
Remote Similarity 0.6974 NPC158900
Remote Similarity 0.696 NPC55300
Remote Similarity 0.6937 NPC125306
Remote Similarity 0.6929 NPC469808
Remote Similarity 0.6917 NPC217277
Remote Similarity 0.6917 NPC255253
Remote Similarity 0.6905 NPC165646
Remote Similarity 0.6899 NPC9248
Remote Similarity 0.6885 NPC42383
Remote Similarity 0.6861 NPC160193
Remote Similarity 0.6853 NPC323204
Remote Similarity 0.6846 NPC228907
Remote Similarity 0.6838 NPC172403
Remote Similarity 0.6812 NPC329595
Remote Similarity 0.6812 NPC326599
Remote Similarity 0.6791 NPC140359
Remote Similarity 0.6791 NPC13020
Remote Similarity 0.6789 NPC124576
Remote Similarity 0.6786 NPC23837
Remote Similarity 0.6781 NPC110337
Remote Similarity 0.6777 NPC12714
Remote Similarity 0.6777 NPC310905
Remote Similarity 0.6774 NPC186469
Remote Similarity 0.675 NPC132725
Remote Similarity 0.6741 NPC105513
Remote Similarity 0.6739 NPC200555
Remote Similarity 0.6739 NPC196026
Remote Similarity 0.672 NPC97811
Remote Similarity 0.6712 NPC294249
Remote Similarity 0.6711 NPC60538
Remote Similarity 0.6711 NPC207824
Remote Similarity 0.6693 NPC245552
Remote Similarity 0.6692 NPC276195
Remote Similarity 0.6667 NPC167096
Remote Similarity 0.6667 NPC37205
Remote Similarity 0.6667 NPC130926
Remote Similarity 0.6667 NPC256369
Remote Similarity 0.6667 NPC292792
Remote Similarity 0.6667 NPC160931
Remote Similarity 0.6645 NPC477564
Remote Similarity 0.6645 NPC2295
Remote Similarity 0.6643 NPC274732
Remote Similarity 0.6643 NPC470707
Remote Similarity 0.6643 NPC118419
Remote Similarity 0.664 NPC227894
Remote Similarity 0.664 NPC194034
Remote Similarity 0.6639 NPC51633
Remote Similarity 0.6623 NPC76213
Remote Similarity 0.6623 NPC277669
Remote Similarity 0.662 NPC277042
Remote Similarity 0.662 NPC136330
Remote Similarity 0.662 NPC251454
Remote Similarity 0.662 NPC230698
Remote Similarity 0.662 NPC196609
Remote Similarity 0.662 NPC205178
Remote Similarity 0.662 NPC255817
Remote Similarity 0.662 NPC73883
Remote Similarity 0.662 NPC180647
Remote Similarity 0.6619 NPC195902
Remote Similarity 0.6618 NPC25817
Remote Similarity 0.6618 NPC221090
Remote Similarity 0.6617 NPC263835
Remote Similarity 0.6615 NPC162294
Remote Similarity 0.6614 NPC137685
Remote Similarity 0.6614 NPC46844
Remote Similarity 0.6613 NPC17537
Remote Similarity 0.6613 NPC307875
Remote Similarity 0.6612 NPC471576
Remote Similarity 0.6597 NPC231572
Remote Similarity 0.6594 NPC291847
Remote Similarity 0.6593 NPC152722
Remote Similarity 0.6593 NPC71090
Remote Similarity 0.6593 NPC261661
Remote Similarity 0.6591 NPC159916
Remote Similarity 0.6589 NPC303522
Remote Similarity 0.6585 NPC192596
Remote Similarity 0.6581 NPC329640
Remote Similarity 0.6577 NPC115144
Remote Similarity 0.6577 NPC277857
Remote Similarity 0.6573 NPC99078
Remote Similarity 0.6567 NPC267064
Remote Similarity 0.6562 NPC21890
Remote Similarity 0.6561 NPC124433
Remote Similarity 0.6561 NPC293871
Remote Similarity 0.6561 NPC475393
Remote Similarity 0.6552 NPC314682
Remote Similarity 0.6544 NPC192810
Remote Similarity 0.6544 NPC279379
Remote Similarity 0.6544 NPC217854
Remote Similarity 0.6541 NPC37858
Remote Similarity 0.6538 NPC142319
Remote Similarity 0.6538 NPC221301
Remote Similarity 0.6532 NPC38079
Remote Similarity 0.6532 NPC108875
Remote Similarity 0.6528 NPC225745
Remote Similarity 0.6528 NPC252107
Remote Similarity 0.6528 NPC220923
Remote Similarity 0.6522 NPC298845
Remote Similarity 0.6522 NPC301713
Remote Similarity 0.6519 NPC127389
Remote Similarity 0.6519 NPC290451
Remote Similarity 0.6507 NPC328750
Remote Similarity 0.6507 NPC213206
Remote Similarity 0.6507 NPC188163
Remote Similarity 0.6507 NPC474915
Remote Similarity 0.6503 NPC11147
Remote Similarity 0.6496 NPC300955
Remote Similarity 0.6496 NPC114901
Remote Similarity 0.6496 NPC109822
Remote Similarity 0.6496 NPC302546
Remote Similarity 0.6496 NPC48990
Remote Similarity 0.6496 NPC94276
Remote Similarity 0.6496 NPC293701
Remote Similarity 0.6493 NPC321133
Remote Similarity 0.6489 NPC213
Remote Similarity 0.6489 NPC10286
Remote Similarity 0.6484 NPC179309
Remote Similarity 0.6483 NPC299583
Remote Similarity 0.648 NPC473855
Remote Similarity 0.648 NPC470393
Remote Similarity 0.6475 NPC37074
Remote Similarity 0.6475 NPC186898
Remote Similarity 0.6475 NPC280736
Remote Similarity 0.6466 NPC277460
Remote Similarity 0.6466 NPC474214
Remote Similarity 0.6462 NPC165106
Remote Similarity 0.6458 NPC416184
Remote Similarity 0.6458 NPC131204
Remote Similarity 0.6458 NPC167944
Remote Similarity 0.6458 NPC7018
Remote Similarity 0.6458 NPC301050
Remote Similarity 0.6458 NPC231884
Remote Similarity 0.6458 NPC42793
Remote Similarity 0.6457 NPC146530
Remote Similarity 0.6452 NPC203784
Remote Similarity 0.6452 NPC126519
Remote Similarity 0.6452 NPC170503
Remote Similarity 0.6452 NPC180756
Remote Similarity 0.6452 NPC323443
Remote Similarity 0.6449 NPC207541
Remote Similarity 0.6449 NPC246133
Remote Similarity 0.6449 NPC71105
Remote Similarity 0.6449 NPC182147
Remote Similarity 0.6449 NPC152186
Remote Similarity 0.6449 NPC170583
Remote Similarity 0.6449 NPC194519
Remote Similarity 0.6447 NPC274026
Remote Similarity 0.6444 NPC183262
Remote Similarity 0.6444 NPC199023
Remote Similarity 0.6444 NPC472596
Remote Similarity 0.6444 NPC318357
Remote Similarity 0.6439 NPC264379
Remote Similarity 0.6439 NPC9341
Remote Similarity 0.6439 NPC81067
Remote Similarity 0.6438 NPC189724
Remote Similarity 0.6438 NPC212850
Remote Similarity 0.6438 NPC83289
Remote Similarity 0.6434 NPC139617
Remote Similarity 0.6434 NPC166837
Remote Similarity 0.6434 NPC282477
Remote Similarity 0.6434 NPC78918
Remote Similarity 0.6434 NPC203924
Remote Similarity 0.6434 NPC284855
Remote Similarity 0.6429 NPC326801
Remote Similarity 0.6429 NPC302378
Remote Similarity 0.6429 NPC176971
Remote Similarity 0.6429 NPC155838
Remote Similarity 0.6429 NPC473653
Remote Similarity 0.6429 NPC247146

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  237.14
ALogP  -0.534
MLogP  2.45
XLogP  1.582
HDA  2
HBD  1
Rotatable Bonds  6
TPSA  39.72
RO5 Violation  0