Drug Information

Drug ID:  NPD1735
Drug Name:  Fluvoxamine Maleate
Molecular Formula:  C15H21F3N2O2.C4H4O4
Canonical SMILES:  OC(=O)/C=CC(=O)O.NCCO/N=C(/c1ccc(cc1)C(F)(F)F)CCCCOC
Standard InCHI:  InChI=1S/C15H21F3N2O2.C4H4O4/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18;5-3(6)1-2-4(7)8/h5-8H,2-4,9-11,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b20-14+;2-1-
Standard InCHIKey:  LFMYNZPAVPMEGP-PIDGMYBPSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1735

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
Intermediate Similarity 0.7009 NPC58674
Intermediate Similarity 0.7009 NPC303045
Intermediate Similarity 0.7009 NPC161972
Remote Similarity 0.6991 NPC327481
Remote Similarity 0.699 NPC471638
Remote Similarity 0.697 NPC192623
Remote Similarity 0.697 NPC309279
Remote Similarity 0.6944 NPC25565
Remote Similarity 0.6887 NPC245259
Remote Similarity 0.6887 NPC226438
Remote Similarity 0.6881 NPC473501
Remote Similarity 0.6881 NPC475439
Remote Similarity 0.6837 NPC290638
Remote Similarity 0.6822 NPC265521
Remote Similarity 0.6814 NPC194390
Remote Similarity 0.6814 NPC224610
Remote Similarity 0.6814 NPC113326
Remote Similarity 0.6814 NPC88267
Remote Similarity 0.6804 NPC276699
Remote Similarity 0.6792 NPC172128
Remote Similarity 0.6762 NPC325441
Remote Similarity 0.6759 NPC471309
Remote Similarity 0.675 NPC197470
Remote Similarity 0.6727 NPC311242
Remote Similarity 0.6698 NPC470877
Remote Similarity 0.6694 NPC2265
Remote Similarity 0.6667 NPC164514
Remote Similarity 0.6667 NPC108606
Remote Similarity 0.6667 NPC323164
Remote Similarity 0.6667 NPC226096
Remote Similarity 0.6667 NPC290515
Remote Similarity 0.6667 NPC303611
Remote Similarity 0.6639 NPC474584
Remote Similarity 0.6636 NPC74936
Remote Similarity 0.6636 NPC316108
Remote Similarity 0.6636 NPC141139
Remote Similarity 0.6636 NPC209764
Remote Similarity 0.6636 NPC121872
Remote Similarity 0.6636 NPC78041
Remote Similarity 0.6636 NPC471307
Remote Similarity 0.6636 NPC258627
Remote Similarity 0.6636 NPC159178
Remote Similarity 0.6635 NPC3210
Remote Similarity 0.661 NPC319579
Remote Similarity 0.6609 NPC211551
Remote Similarity 0.6585 NPC314992
Remote Similarity 0.6579 NPC164859
Remote Similarity 0.6577 NPC33168
Remote Similarity 0.6555 NPC329011
Remote Similarity 0.6545 NPC215351
Remote Similarity 0.6545 NPC20142
Remote Similarity 0.6531 NPC113000
Remote Similarity 0.6531 NPC112609
Remote Similarity 0.6531 NPC122327
Remote Similarity 0.6509 NPC198747
Remote Similarity 0.6505 NPC14326
Remote Similarity 0.6495 NPC125144
Remote Similarity 0.6495 NPC121708
Remote Similarity 0.6442 NPC146703
Remote Similarity 0.6429 NPC122493
Remote Similarity 0.6429 NPC10781
Remote Similarity 0.6429 NPC324569
Remote Similarity 0.6429 NPC293628
Remote Similarity 0.6392 NPC229235
Remote Similarity 0.6379 NPC150254
Remote Similarity 0.6379 NPC226778
Remote Similarity 0.6379 NPC304761
Remote Similarity 0.6379 NPC147000
Remote Similarity 0.6373 NPC170484
Remote Similarity 0.6348 NPC318154
Remote Similarity 0.6348 NPC327226
Remote Similarity 0.6346 NPC323103
Remote Similarity 0.6346 NPC103387
Remote Similarity 0.6346 NPC106313
Remote Similarity 0.6339 NPC3371
Remote Similarity 0.6337 NPC98269
Remote Similarity 0.6337 NPC325662
Remote Similarity 0.6333 NPC323007
Remote Similarity 0.6328 NPC35996
Remote Similarity 0.6327 NPC208302
Remote Similarity 0.6321 NPC475710
Remote Similarity 0.632 NPC310467
Remote Similarity 0.6316 NPC12730
Remote Similarity 0.6311 NPC121800
Remote Similarity 0.6303 NPC182549
Remote Similarity 0.6303 NPC114741
Remote Similarity 0.6296 NPC12429
Remote Similarity 0.6286 NPC119677
Remote Similarity 0.6286 NPC270507
Remote Similarity 0.6275 NPC224544
Remote Similarity 0.627 NPC283760
Remote Similarity 0.6261 NPC469457
Remote Similarity 0.6261 NPC316797
Remote Similarity 0.625 NPC24777
Remote Similarity 0.624 NPC169328
Remote Similarity 0.6239 NPC1793
Remote Similarity 0.6239 NPC275467
Remote Similarity 0.6238 NPC139658
Remote Similarity 0.6204 NPC473031
Remote Similarity 0.62 NPC108218
Remote Similarity 0.619 NPC237420
Remote Similarity 0.619 NPC121478
Remote Similarity 0.619 NPC73637
Remote Similarity 0.6186 NPC67043
Remote Similarity 0.6172 NPC71684
Remote Similarity 0.6167 NPC309982
Remote Similarity 0.6154 NPC184030
Remote Similarity 0.6154 NPC471317
Remote Similarity 0.6154 NPC164449
Remote Similarity 0.6139 NPC189371
Remote Similarity 0.6121 NPC214200
Remote Similarity 0.6121 NPC228400
Remote Similarity 0.6116 NPC470127
Remote Similarity 0.6111 NPC203076
Remote Similarity 0.6111 NPC474211
Remote Similarity 0.6111 NPC93843
Remote Similarity 0.6107 NPC4974
Remote Similarity 0.6107 NPC474479
Remote Similarity 0.6098 NPC273814
Remote Similarity 0.6094 NPC477061
Remote Similarity 0.6094 NPC478014
Remote Similarity 0.6094 NPC478016
Remote Similarity 0.6094 NPC45777
Remote Similarity 0.6094 NPC80150
Remote Similarity 0.6094 NPC478015
Remote Similarity 0.6094 NPC190663
Remote Similarity 0.6091 NPC231591
Remote Similarity 0.6087 NPC322598
Remote Similarity 0.6087 NPC107619
Remote Similarity 0.608 NPC101139
Remote Similarity 0.608 NPC188010
Remote Similarity 0.6075 NPC133162
Remote Similarity 0.6075 NPC304538
Remote Similarity 0.6064 NPC54368
Remote Similarity 0.6064 NPC248705
Remote Similarity 0.6055 NPC60408
Remote Similarity 0.6048 NPC474544
Remote Similarity 0.6048 NPC276949
Remote Similarity 0.6048 NPC26524
Remote Similarity 0.6048 NPC1986
Remote Similarity 0.6048 NPC35850
Remote Similarity 0.6042 NPC198023
Remote Similarity 0.6033 NPC97811
Remote Similarity 0.6029 NPC247018
Remote Similarity 0.6029 NPC307123
Remote Similarity 0.6029 NPC97870
Remote Similarity 0.6019 NPC99482
Remote Similarity 0.6019 NPC294134
Remote Similarity 0.6019 NPC474354
Remote Similarity 0.6017 NPC202613
Remote Similarity 0.6017 NPC471310
Remote Similarity 0.6 NPC157055
Remote Similarity 0.6 NPC160493
Remote Similarity 0.6 NPC118202
Remote Similarity 0.6 NPC33742
Remote Similarity 0.6 NPC328178
Remote Similarity 0.5984 NPC290566
Remote Similarity 0.5984 NPC145638
Remote Similarity 0.5982 NPC79917
Remote Similarity 0.5982 NPC220596
Remote Similarity 0.5981 NPC477770
Remote Similarity 0.5981 NPC288903
Remote Similarity 0.5979 NPC178527
Remote Similarity 0.5969 NPC476990
Remote Similarity 0.5969 NPC476183
Remote Similarity 0.5963 NPC243166
Remote Similarity 0.5952 NPC317254
Remote Similarity 0.595 NPC186469
Remote Similarity 0.594 NPC477937
Remote Similarity 0.5938 NPC88566
Remote Similarity 0.5935 NPC474149
Remote Similarity 0.5929 NPC314690
Remote Similarity 0.5926 NPC168855
Remote Similarity 0.5926 NPC95429
Remote Similarity 0.5923 NPC476184
Remote Similarity 0.5923 NPC273830
Remote Similarity 0.5923 NPC476281
Remote Similarity 0.5923 NPC202521
Remote Similarity 0.5917 NPC42383
Remote Similarity 0.5909 NPC473938
Remote Similarity 0.5909 NPC328267
Remote Similarity 0.5909 NPC222466
Remote Similarity 0.5906 NPC470544
Remote Similarity 0.59 NPC219246
Remote Similarity 0.5895 NPC210849
Remote Similarity 0.5893 NPC70940
Remote Similarity 0.5893 NPC86670
Remote Similarity 0.5893 NPC274455
Remote Similarity 0.5888 NPC475199
Remote Similarity 0.5888 NPC87299
Remote Similarity 0.5888 NPC329319
Remote Similarity 0.5888 NPC283012
Remote Similarity 0.5888 NPC230068
Remote Similarity 0.5888 NPC99394
Remote Similarity 0.5888 NPC103326
Remote Similarity 0.5887 NPC21890
Remote Similarity 0.5887 NPC275410
Remote Similarity 0.5887 NPC166837
Remote Similarity 0.5878 NPC252878
Remote Similarity 0.5877 NPC474974

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  318.16
ALogP  -0.4697
MLogP  2.34
XLogP  3.83
HDA  2
HBD  1
Rotatable Bonds  15
TPSA  56.84
RO5 Violation  0