Drug Information

Drug ID:  NPD596
Drug Name:  Methoxamine Hydrochloride
Molecular Formula:  C11H17NO3.ClH
Canonical SMILES:  COc1ccc(c(c1)C(C(N)C)O)OC.Cl
Standard InCHI:  InChI=1S/C11H17NO3.ClH/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3;/h4-7,11,13H,12H2,1-3H3;1H
Standard InCHIKey:  YGRFXPCHZBRUKP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD596

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 0.8512 NPC21890
High Similarity 0.8504 NPC211992
Intermediate Similarity 0.8264 NPC241549
Intermediate Similarity 0.8209 NPC326599
Intermediate Similarity 0.8209 NPC329595
Intermediate Similarity 0.8182 NPC186469
Intermediate Similarity 0.8047 NPC283616
Intermediate Similarity 0.8033 NPC233320
Intermediate Similarity 0.8016 NPC470837
Intermediate Similarity 0.7969 NPC137096
Intermediate Similarity 0.7967 NPC97811
Intermediate Similarity 0.7955 NPC13020
Intermediate Similarity 0.7955 NPC140359
Intermediate Similarity 0.7937 NPC26524
Intermediate Similarity 0.7852 NPC291847
Intermediate Similarity 0.7836 NPC136112
Intermediate Similarity 0.7836 NPC141739
Intermediate Similarity 0.7829 NPC120075
Intermediate Similarity 0.7787 NPC130817
Intermediate Similarity 0.7778 NPC322366
Intermediate Similarity 0.7778 NPC275627
Intermediate Similarity 0.7724 NPC42383
Intermediate Similarity 0.7705 NPC68055
Intermediate Similarity 0.7682 NPC160931
Intermediate Similarity 0.7682 NPC37205
Intermediate Similarity 0.7674 NPC301321
Intermediate Similarity 0.7652 NPC118522
Intermediate Similarity 0.7652 NPC169207
Intermediate Similarity 0.7652 NPC53596
Intermediate Similarity 0.7652 NPC17388
Intermediate Similarity 0.7652 NPC115627
Intermediate Similarity 0.7652 NPC471308
Intermediate Similarity 0.7652 NPC160120
Intermediate Similarity 0.7652 NPC289330
Intermediate Similarity 0.7634 NPC329980
Intermediate Similarity 0.763 NPC105513
Intermediate Similarity 0.7622 NPC477837
Intermediate Similarity 0.7622 NPC477838
Intermediate Similarity 0.7619 NPC290566
Intermediate Similarity 0.7619 NPC145638
Intermediate Similarity 0.7612 NPC298486
Intermediate Similarity 0.7606 NPC231163
Intermediate Similarity 0.7606 NPC318591
Intermediate Similarity 0.7594 NPC318357
Intermediate Similarity 0.7578 NPC98372
Intermediate Similarity 0.7574 NPC320242
Intermediate Similarity 0.7569 NPC66518
Intermediate Similarity 0.7556 NPC318777
Intermediate Similarity 0.7521 NPC303611
Intermediate Similarity 0.7521 NPC164514
Intermediate Similarity 0.7521 NPC290515
Intermediate Similarity 0.7521 NPC226096
Intermediate Similarity 0.7521 NPC108606
Intermediate Similarity 0.7519 NPC232295
Intermediate Similarity 0.75 NPC62101
Intermediate Similarity 0.75 NPC95733
Intermediate Similarity 0.7481 NPC154256
Intermediate Similarity 0.7481 NPC471314
Intermediate Similarity 0.7481 NPC471315
Intermediate Similarity 0.7481 NPC290470
Intermediate Similarity 0.7463 NPC473875
Intermediate Similarity 0.7451 NPC29647
Intermediate Similarity 0.7448 NPC204546
Intermediate Similarity 0.7445 NPC29477
Intermediate Similarity 0.7444 NPC32152
Intermediate Similarity 0.7442 NPC474920
Intermediate Similarity 0.7442 NPC228452
Intermediate Similarity 0.7405 NPC213
Intermediate Similarity 0.7405 NPC232165
Intermediate Similarity 0.7405 NPC808
Intermediate Similarity 0.7405 NPC10286
Intermediate Similarity 0.7402 NPC169450
Intermediate Similarity 0.7391 NPC236347
Intermediate Similarity 0.7391 NPC323775
Intermediate Similarity 0.7388 NPC474131
Intermediate Similarity 0.7381 NPC30416
Intermediate Similarity 0.7377 NPC88420
Intermediate Similarity 0.7376 NPC97870
Intermediate Similarity 0.7376 NPC307123
Intermediate Similarity 0.7376 NPC247018
Intermediate Similarity 0.7357 NPC158477
Intermediate Similarity 0.7357 NPC262641
Intermediate Similarity 0.7353 NPC270326
Intermediate Similarity 0.7353 NPC77789
Intermediate Similarity 0.7353 NPC46586
Intermediate Similarity 0.7353 NPC188997
Intermediate Similarity 0.7353 NPC204535
Intermediate Similarity 0.7353 NPC474864
Intermediate Similarity 0.7353 NPC18128
Intermediate Similarity 0.7348 NPC150624
Intermediate Similarity 0.7342 NPC195392
Intermediate Similarity 0.7338 NPC153990
Intermediate Similarity 0.7333 NPC277798
Intermediate Similarity 0.7333 NPC475529
Intermediate Similarity 0.7333 NPC96423
Intermediate Similarity 0.7333 NPC100108
Intermediate Similarity 0.7323 NPC194034
Intermediate Similarity 0.7319 NPC476254
Intermediate Similarity 0.7319 NPC131397
Intermediate Similarity 0.7317 NPC100870
Intermediate Similarity 0.7313 NPC43275
Intermediate Similarity 0.7313 NPC135961
Intermediate Similarity 0.7308 NPC146422
Intermediate Similarity 0.7299 NPC474130
Intermediate Similarity 0.7299 NPC261992
Intermediate Similarity 0.7299 NPC211218
Intermediate Similarity 0.7297 NPC294249
Intermediate Similarity 0.7293 NPC33270
Intermediate Similarity 0.7293 NPC69261
Intermediate Similarity 0.729 NPC79328
Intermediate Similarity 0.7287 NPC168657
Intermediate Similarity 0.7287 NPC137685
Intermediate Similarity 0.7286 NPC471321
Intermediate Similarity 0.7286 NPC471306
Intermediate Similarity 0.7285 NPC60538
Intermediate Similarity 0.7285 NPC207824
Intermediate Similarity 0.7279 NPC285289
Intermediate Similarity 0.7273 NPC473718
Intermediate Similarity 0.7273 NPC20142
Intermediate Similarity 0.7273 NPC215351
Intermediate Similarity 0.7266 NPC301713
Intermediate Similarity 0.7266 NPC75440
Intermediate Similarity 0.7259 NPC321133
Intermediate Similarity 0.7258 NPC130103
Intermediate Similarity 0.7254 NPC93882
Intermediate Similarity 0.7254 NPC130595
Intermediate Similarity 0.7241 NPC160607
Intermediate Similarity 0.7241 NPC41473
Intermediate Similarity 0.7241 NPC312770
Intermediate Similarity 0.7241 NPC253429
Intermediate Similarity 0.7241 NPC14600
Intermediate Similarity 0.7241 NPC204848
Intermediate Similarity 0.7239 NPC5932
Intermediate Similarity 0.7239 NPC190514
Intermediate Similarity 0.7236 NPC474073
Intermediate Similarity 0.7236 NPC152097
Intermediate Similarity 0.7234 NPC97326
Intermediate Similarity 0.7231 NPC195873
Intermediate Similarity 0.7226 NPC120638
Intermediate Similarity 0.7226 NPC246967
Intermediate Similarity 0.7226 NPC135414
Intermediate Similarity 0.7222 NPC226778
Intermediate Similarity 0.7222 NPC150254
Intermediate Similarity 0.7222 NPC38079
Intermediate Similarity 0.7222 NPC147000
Intermediate Similarity 0.7222 NPC108875
Intermediate Similarity 0.7222 NPC304761
Intermediate Similarity 0.7218 NPC69539
Intermediate Similarity 0.7209 NPC316052
Intermediate Similarity 0.7209 NPC474272
Intermediate Similarity 0.7209 NPC473524
Intermediate Similarity 0.7208 NPC477564
Intermediate Similarity 0.7208 NPC2295
Intermediate Similarity 0.7206 NPC129176
Intermediate Similarity 0.7203 NPC313737
Intermediate Similarity 0.7203 NPC285078
Intermediate Similarity 0.7203 NPC6854
Intermediate Similarity 0.7197 NPC22610
Intermediate Similarity 0.7197 NPC276737
Intermediate Similarity 0.7194 NPC477213
Intermediate Similarity 0.7194 NPC4286
Intermediate Similarity 0.7194 NPC76119
Intermediate Similarity 0.7192 NPC328137
Intermediate Similarity 0.7192 NPC282087
Intermediate Similarity 0.7192 NPC317741
Intermediate Similarity 0.7192 NPC318984
Intermediate Similarity 0.7192 NPC241086
Intermediate Similarity 0.7192 NPC318028
Intermediate Similarity 0.7192 NPC259800
Intermediate Similarity 0.719 NPC277669
Intermediate Similarity 0.719 NPC76213
Intermediate Similarity 0.7188 NPC474352
Intermediate Similarity 0.7188 NPC66834
Intermediate Similarity 0.7188 NPC251306
Intermediate Similarity 0.7185 NPC24474
Intermediate Similarity 0.7185 NPC51341
Intermediate Similarity 0.7185 NPC311595
Intermediate Similarity 0.7185 NPC121866
Intermediate Similarity 0.7185 NPC471449
Intermediate Similarity 0.7185 NPC184302
Intermediate Similarity 0.7177 NPC125732
Intermediate Similarity 0.7177 NPC260775
Intermediate Similarity 0.7176 NPC302371
Intermediate Similarity 0.7174 NPC217277
Intermediate Similarity 0.7165 NPC470393
Intermediate Similarity 0.7165 NPC471350
Intermediate Similarity 0.7164 NPC187993
Intermediate Similarity 0.7164 NPC221549
Intermediate Similarity 0.7164 NPC164386
Intermediate Similarity 0.7164 NPC238176
Intermediate Similarity 0.7164 NPC50521
Intermediate Similarity 0.7164 NPC244816
Intermediate Similarity 0.7163 NPC19694
Intermediate Similarity 0.7163 NPC40377
Intermediate Similarity 0.7153 NPC476343
Intermediate Similarity 0.7153 NPC476165
Intermediate Similarity 0.7153 NPC470804
Intermediate Similarity 0.7153 NPC218530
Intermediate Similarity 0.7153 NPC212965
Intermediate Similarity 0.7143 NPC112596

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  211.12
ALogP  -1.3633
MLogP  2.23
XLogP  0.609
HDA  2
HBD  2
Rotatable Bonds  9
TPSA  64.71
RO5 Violation  0