Drug Information

Drug ID:  NPD595
Drug Name:  Methoxyphenamine
Molecular Formula:  C11H17NO
Canonical SMILES:  CNC(Cc1ccccc1OC)C
Standard InCHI:  InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3
Standard InCHIKey:  OEHAYUOVELTAPG-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD595

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 0.934 NPC186469
High Similarity 0.9074 NPC97811
High Similarity 0.8839 NPC26524
High Similarity 0.8829 NPC21890
High Similarity 0.8796 NPC42383
High Similarity 0.8644 NPC211992
Intermediate Similarity 0.8417 NPC298486
Intermediate Similarity 0.8361 NPC136112
Intermediate Similarity 0.8361 NPC141739
Intermediate Similarity 0.8197 NPC217277
Intermediate Similarity 0.8197 NPC328267
Intermediate Similarity 0.8067 NPC120075
Intermediate Similarity 0.8065 NPC320242
Intermediate Similarity 0.7874 NPC471321
Intermediate Similarity 0.7874 NPC471306
Intermediate Similarity 0.7869 NPC321133
Intermediate Similarity 0.7845 NPC24777
Intermediate Similarity 0.7812 NPC262641
Intermediate Similarity 0.7803 NPC253429
Intermediate Similarity 0.7778 NPC321956
Intermediate Similarity 0.7724 NPC471308
Intermediate Similarity 0.7724 NPC53596
Intermediate Similarity 0.7724 NPC160120
Intermediate Similarity 0.7724 NPC289330
Intermediate Similarity 0.7724 NPC17388
Intermediate Similarity 0.7692 NPC307123
Intermediate Similarity 0.7692 NPC97870
Intermediate Similarity 0.7692 NPC247018
Intermediate Similarity 0.7685 NPC71853
Intermediate Similarity 0.7669 NPC318591
Intermediate Similarity 0.7669 NPC231163
Intermediate Similarity 0.7656 NPC291847
Intermediate Similarity 0.7642 NPC43275
Intermediate Similarity 0.7634 NPC160692
Intermediate Similarity 0.7632 NPC24327
Intermediate Similarity 0.7632 NPC12870
Intermediate Similarity 0.763 NPC204546
Intermediate Similarity 0.7619 NPC13020
Intermediate Similarity 0.7619 NPC140359
Intermediate Similarity 0.7603 NPC213
Intermediate Similarity 0.7603 NPC10286
Intermediate Similarity 0.7593 NPC99886
Intermediate Similarity 0.7593 NPC259134
Intermediate Similarity 0.7593 NPC8002
Intermediate Similarity 0.7593 NPC177844
Intermediate Similarity 0.7589 NPC95755
Intermediate Similarity 0.7589 NPC470161
Intermediate Similarity 0.7565 NPC304761
Intermediate Similarity 0.7565 NPC147000
Intermediate Similarity 0.7565 NPC226778
Intermediate Similarity 0.7565 NPC150254
Intermediate Similarity 0.7563 NPC166837
Intermediate Similarity 0.7559 NPC105513
Intermediate Similarity 0.754 NPC471315
Intermediate Similarity 0.754 NPC471314
Intermediate Similarity 0.7522 NPC125732
Intermediate Similarity 0.75 NPC124776
Intermediate Similarity 0.748 NPC137096
Intermediate Similarity 0.7478 NPC68055
Intermediate Similarity 0.7477 NPC471581
Intermediate Similarity 0.7462 NPC283079
Intermediate Similarity 0.7458 NPC146530
Intermediate Similarity 0.7456 NPC155847
Intermediate Similarity 0.7456 NPC289381
Intermediate Similarity 0.744 NPC263835
Intermediate Similarity 0.7424 NPC118419
Intermediate Similarity 0.7405 NPC135173
Intermediate Similarity 0.7391 NPC327226
Intermediate Similarity 0.7391 NPC84325
Intermediate Similarity 0.7388 NPC237227
Intermediate Similarity 0.7385 NPC172403
Intermediate Similarity 0.7381 NPC318357
Intermediate Similarity 0.7373 NPC233320
Intermediate Similarity 0.7372 NPC323204
Intermediate Similarity 0.7368 NPC325568
Intermediate Similarity 0.7368 NPC100870
Intermediate Similarity 0.7361 NPC477564
Intermediate Similarity 0.7361 NPC2295
Intermediate Similarity 0.7344 NPC211218
Intermediate Similarity 0.7338 NPC294249
Intermediate Similarity 0.7324 NPC60538
Intermediate Similarity 0.7324 NPC207824
Intermediate Similarity 0.7311 NPC309982
Intermediate Similarity 0.7308 NPC218323
Intermediate Similarity 0.7288 NPC30416
Intermediate Similarity 0.7288 NPC326801
Intermediate Similarity 0.7287 NPC62101
Intermediate Similarity 0.7287 NPC95733
Intermediate Similarity 0.7281 NPC290515
Intermediate Similarity 0.7281 NPC108606
Intermediate Similarity 0.7281 NPC164514
Intermediate Similarity 0.7281 NPC303611
Intermediate Similarity 0.7281 NPC313918
Intermediate Similarity 0.7281 NPC226096
Intermediate Similarity 0.728 NPC85276
Intermediate Similarity 0.7273 NPC160193
Intermediate Similarity 0.7265 NPC108875
Intermediate Similarity 0.7265 NPC38079
Intermediate Similarity 0.726 NPC170503
Intermediate Similarity 0.726 NPC126519
Intermediate Similarity 0.726 NPC203784
Intermediate Similarity 0.7259 NPC235633
Intermediate Similarity 0.7259 NPC11147
Intermediate Similarity 0.725 NPC290566
Intermediate Similarity 0.725 NPC145638
Intermediate Similarity 0.7241 NPC300166
Intermediate Similarity 0.7231 NPC29477
Intermediate Similarity 0.7222 NPC277669
Intermediate Similarity 0.7222 NPC76213
Intermediate Similarity 0.7222 NPC283760
Intermediate Similarity 0.7218 NPC326599
Intermediate Similarity 0.7218 NPC329595
Intermediate Similarity 0.7217 NPC471576
Intermediate Similarity 0.7203 NPC470393
Intermediate Similarity 0.7203 NPC473855
Intermediate Similarity 0.7203 NPC227255
Intermediate Similarity 0.719 NPC473809
Intermediate Similarity 0.7179 NPC298224
Intermediate Similarity 0.7177 NPC303370
Intermediate Similarity 0.7176 NPC301713
Intermediate Similarity 0.7174 NPC314682
Intermediate Similarity 0.7172 NPC114124
Intermediate Similarity 0.7164 NPC470392
Intermediate Similarity 0.7155 NPC228400
Intermediate Similarity 0.7155 NPC214200
Intermediate Similarity 0.7154 NPC272463
Intermediate Similarity 0.7153 NPC193528
Intermediate Similarity 0.7143 NPC113457
Intermediate Similarity 0.7143 NPC29647
Intermediate Similarity 0.7131 NPC275627
Intermediate Similarity 0.713 NPC175298
Intermediate Similarity 0.7122 NPC328750
Intermediate Similarity 0.7122 NPC474915
Intermediate Similarity 0.7122 NPC188163
Intermediate Similarity 0.7122 NPC213206
Intermediate Similarity 0.7121 NPC153990
Intermediate Similarity 0.7119 NPC292792
Intermediate Similarity 0.7119 NPC241224
Intermediate Similarity 0.7119 NPC38209
Intermediate Similarity 0.7099 NPC110131
Intermediate Similarity 0.7095 NPC79328
Intermediate Similarity 0.7094 NPC51633
Intermediate Similarity 0.7083 NPC194034
Intermediate Similarity 0.7077 NPC255253
Intermediate Similarity 0.7073 NPC199462
Intermediate Similarity 0.7063 NPC323948
Intermediate Similarity 0.7063 NPC476151
Intermediate Similarity 0.7063 NPC476144
Intermediate Similarity 0.7063 NPC51957
Intermediate Similarity 0.7063 NPC16107
Intermediate Similarity 0.7063 NPC210437
Intermediate Similarity 0.7063 NPC106295
Intermediate Similarity 0.7059 NPC475269
Intermediate Similarity 0.7059 NPC470441
Intermediate Similarity 0.7055 NPC203424
Intermediate Similarity 0.7055 NPC206372
Intermediate Similarity 0.705 NPC212850
Intermediate Similarity 0.705 NPC83289
Intermediate Similarity 0.705 NPC189724
Intermediate Similarity 0.7047 NPC7393
Intermediate Similarity 0.7045 NPC322366
Intermediate Similarity 0.7037 NPC130595
Intermediate Similarity 0.7037 NPC93882
Intermediate Similarity 0.7034 NPC305205
Intermediate Similarity 0.7034 NPC47672
Intermediate Similarity 0.7034 NPC178902
Intermediate Similarity 0.7034 NPC192596
Intermediate Similarity 0.7027 NPC160931
Intermediate Similarity 0.7027 NPC37205
Intermediate Similarity 0.7025 NPC75440
Intermediate Similarity 0.7025 NPC241549
Intermediate Similarity 0.7018 NPC20142
Intermediate Similarity 0.7018 NPC215351
Intermediate Similarity 0.7016 NPC35344
Intermediate Similarity 0.7016 NPC141003
Intermediate Similarity 0.7014 NPC7467
Intermediate Similarity 0.7009 NPC13755
Intermediate Similarity 0.7009 NPC29601
Intermediate Similarity 0.7007 NPC475828
Intermediate Similarity 0.7007 NPC233926
Intermediate Similarity 0.7007 NPC470471
Intermediate Similarity 0.7 NPC231705
Intermediate Similarity 0.7 NPC1065
Intermediate Similarity 0.7 NPC66518
Intermediate Similarity 0.7 NPC470925
Remote Similarity 0.6992 NPC269340
Remote Similarity 0.6992 NPC195873
Remote Similarity 0.6992 NPC251571
Remote Similarity 0.6992 NPC470723
Remote Similarity 0.6985 NPC285078
Remote Similarity 0.6985 NPC6854
Remote Similarity 0.6985 NPC313737
Remote Similarity 0.6985 NPC266425
Remote Similarity 0.6984 NPC106551
Remote Similarity 0.6984 NPC258992
Remote Similarity 0.6984 NPC188867
Remote Similarity 0.6984 NPC281686
Remote Similarity 0.6981 NPC124576
Remote Similarity 0.6974 NPC39103
Remote Similarity 0.6974 NPC2770

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  179.13
ALogP  -0.3066
MLogP  2.45
XLogP  2.684
HDA  1
HBD  1
Rotatable Bonds  7
TPSA  21.26
RO5 Violation  0