Drug Information

Drug ID:  NPD840
Drug Name:  Midodrine
Molecular Formula:  C12H18N2O4
Canonical SMILES:  COc1ccc(cc1C(CN=C(CN)O)O)OC
Standard InCHI:  InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)
Standard InCHIKey:  PTKSEFOSCHHMPD-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD840

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 0.8154 NPC53596
Intermediate Similarity 0.8154 NPC289330
Intermediate Similarity 0.8154 NPC160120
Intermediate Similarity 0.8154 NPC17388
Intermediate Similarity 0.8154 NPC471308
Intermediate Similarity 0.8065 NPC241549
Intermediate Similarity 0.7985 NPC95733
Intermediate Similarity 0.7985 NPC62101
Intermediate Similarity 0.797 NPC471314
Intermediate Similarity 0.797 NPC471315
Intermediate Similarity 0.7958 NPC477837
Intermediate Similarity 0.7958 NPC477838
Intermediate Similarity 0.7899 NPC329595
Intermediate Similarity 0.7899 NPC326599
Intermediate Similarity 0.7863 NPC283616
Intermediate Similarity 0.784 NPC186469
Intermediate Similarity 0.784 NPC233320
Intermediate Similarity 0.7829 NPC470837
Intermediate Similarity 0.7817 NPC41473
Intermediate Similarity 0.7817 NPC14600
Intermediate Similarity 0.7817 NPC204848
Intermediate Similarity 0.7817 NPC312770
Intermediate Similarity 0.7817 NPC160607
Intermediate Similarity 0.781 NPC153990
Intermediate Similarity 0.7794 NPC29477
Intermediate Similarity 0.7786 NPC137096
Intermediate Similarity 0.7778 NPC211218
Intermediate Similarity 0.7761 NPC211992
Intermediate Similarity 0.7737 NPC301713
Intermediate Similarity 0.7734 NPC21890
Intermediate Similarity 0.7714 NPC93882
Intermediate Similarity 0.7714 NPC130595
Intermediate Similarity 0.7714 NPC214869
Intermediate Similarity 0.7681 NPC251571
Intermediate Similarity 0.7669 NPC43275
Intermediate Similarity 0.766 NPC6854
Intermediate Similarity 0.766 NPC285078
Intermediate Similarity 0.766 NPC313737
Intermediate Similarity 0.7647 NPC13020
Intermediate Similarity 0.7647 NPC140359
Intermediate Similarity 0.7643 NPC114102
Intermediate Similarity 0.7639 NPC299583
Intermediate Similarity 0.7634 NPC301321
Intermediate Similarity 0.7626 NPC471321
Intermediate Similarity 0.7626 NPC471306
Intermediate Similarity 0.7612 NPC263835
Intermediate Similarity 0.7606 NPC218530
Intermediate Similarity 0.76 NPC130817
Intermediate Similarity 0.7597 NPC275627
Intermediate Similarity 0.7597 NPC166837
Intermediate Similarity 0.7594 NPC329980
Intermediate Similarity 0.7584 NPC115144
Intermediate Similarity 0.7584 NPC277857
Intermediate Similarity 0.7571 NPC195749
Intermediate Similarity 0.7571 NPC52029
Intermediate Similarity 0.7571 NPC35961
Intermediate Similarity 0.7519 NPC120075
Intermediate Similarity 0.7518 NPC308885
Intermediate Similarity 0.7518 NPC255550
Intermediate Similarity 0.75 NPC155838
Intermediate Similarity 0.7482 NPC322366
Intermediate Similarity 0.7465 NPC97870
Intermediate Similarity 0.7465 NPC247018
Intermediate Similarity 0.7465 NPC307123
Intermediate Similarity 0.7445 NPC298486
Intermediate Similarity 0.7442 NPC316052
Intermediate Similarity 0.7432 NPC178466
Intermediate Similarity 0.7432 NPC63628
Intermediate Similarity 0.7431 NPC264956
Intermediate Similarity 0.7431 NPC64205
Intermediate Similarity 0.7429 NPC186898
Intermediate Similarity 0.7429 NPC477839
Intermediate Similarity 0.7417 NPC471032
Intermediate Similarity 0.7417 NPC470935
Intermediate Similarity 0.741 NPC141739
Intermediate Similarity 0.741 NPC136112
Intermediate Similarity 0.7407 NPC283760
Intermediate Similarity 0.7405 NPC98372
Intermediate Similarity 0.7402 NPC42383
Intermediate Similarity 0.7397 NPC296898
Intermediate Similarity 0.7381 NPC68055
Intermediate Similarity 0.7368 NPC232165
Intermediate Similarity 0.7364 NPC169450
Intermediate Similarity 0.7364 NPC97811
Intermediate Similarity 0.7353 NPC232295
Intermediate Similarity 0.7353 NPC115627
Intermediate Similarity 0.7353 NPC169207
Intermediate Similarity 0.7353 NPC118522
Intermediate Similarity 0.7348 NPC26524
Intermediate Similarity 0.7347 NPC212850
Intermediate Similarity 0.7347 NPC189724
Intermediate Similarity 0.7347 NPC83289
Intermediate Similarity 0.7343 NPC471953
Intermediate Similarity 0.7343 NPC470392
Intermediate Similarity 0.7338 NPC275027
Intermediate Similarity 0.7338 NPC105513
Intermediate Similarity 0.7333 NPC5932
Intermediate Similarity 0.7324 NPC158477
Intermediate Similarity 0.7319 NPC270326
Intermediate Similarity 0.7319 NPC46586
Intermediate Similarity 0.7319 NPC188997
Intermediate Similarity 0.7319 NPC204535
Intermediate Similarity 0.7319 NPC77789
Intermediate Similarity 0.7319 NPC18128
Intermediate Similarity 0.7313 NPC154256
Intermediate Similarity 0.7313 NPC290470
Intermediate Similarity 0.7308 NPC37205
Intermediate Similarity 0.7308 NPC290566
Intermediate Similarity 0.7308 NPC145638
Intermediate Similarity 0.7308 NPC160931
Intermediate Similarity 0.7299 NPC473875
Intermediate Similarity 0.7299 NPC318357
Intermediate Similarity 0.7293 NPC142599
Intermediate Similarity 0.7285 NPC245974
Intermediate Similarity 0.7279 NPC32152
Intermediate Similarity 0.7279 NPC135961
Intermediate Similarity 0.7273 NPC474560
Intermediate Similarity 0.7273 NPC474920
Intermediate Similarity 0.7273 NPC228452
Intermediate Similarity 0.7266 NPC474130
Intermediate Similarity 0.7266 NPC261992
Intermediate Similarity 0.7266 NPC318777
Intermediate Similarity 0.7255 NPC182119
Intermediate Similarity 0.7244 NPC178902
Intermediate Similarity 0.7239 NPC317254
Intermediate Similarity 0.7239 NPC303370
Intermediate Similarity 0.7239 NPC213
Intermediate Similarity 0.7239 NPC10286
Intermediate Similarity 0.7239 NPC808
Intermediate Similarity 0.7234 NPC323775
Intermediate Similarity 0.7234 NPC236347
Intermediate Similarity 0.7231 NPC146530
Intermediate Similarity 0.7226 NPC321133
Intermediate Similarity 0.7226 NPC474131
Intermediate Similarity 0.7222 NPC158078
Intermediate Similarity 0.7222 NPC274732
Intermediate Similarity 0.7211 NPC471316
Intermediate Similarity 0.7211 NPC231163
Intermediate Similarity 0.7211 NPC318591
Intermediate Similarity 0.7209 NPC30416
Intermediate Similarity 0.7209 NPC231705
Intermediate Similarity 0.7203 NPC97326
Intermediate Similarity 0.7203 NPC262641
Intermediate Similarity 0.72 NPC88420
Intermediate Similarity 0.7194 NPC474864
Intermediate Similarity 0.7185 NPC150624
Intermediate Similarity 0.7183 NPC191302
Intermediate Similarity 0.7183 NPC157740
Intermediate Similarity 0.7183 NPC99798
Intermediate Similarity 0.7183 NPC291847
Intermediate Similarity 0.7181 NPC204546
Intermediate Similarity 0.7176 NPC474272
Intermediate Similarity 0.7176 NPC473524
Intermediate Similarity 0.7176 NPC258056
Intermediate Similarity 0.7174 NPC277798
Intermediate Similarity 0.7174 NPC96423
Intermediate Similarity 0.7174 NPC183262
Intermediate Similarity 0.7174 NPC100108
Intermediate Similarity 0.7174 NPC475529
Intermediate Similarity 0.7164 NPC118202
Intermediate Similarity 0.7163 NPC131397
Intermediate Similarity 0.7163 NPC477213
Intermediate Similarity 0.7163 NPC476254
Intermediate Similarity 0.7163 NPC320242
Intermediate Similarity 0.7162 NPC197921
Intermediate Similarity 0.7154 NPC194034
Intermediate Similarity 0.7154 NPC474352
Intermediate Similarity 0.7154 NPC142297
Intermediate Similarity 0.7153 NPC256369
Intermediate Similarity 0.7153 NPC121866
Intermediate Similarity 0.7153 NPC24474
Intermediate Similarity 0.7153 NPC311595
Intermediate Similarity 0.7152 NPC247298
Intermediate Similarity 0.7152 NPC206736
Intermediate Similarity 0.7152 NPC195766
Intermediate Similarity 0.7143 NPC100870
Intermediate Similarity 0.7133 NPC100478
Intermediate Similarity 0.7133 NPC147247
Intermediate Similarity 0.7133 NPC40377
Intermediate Similarity 0.7133 NPC222039
Intermediate Similarity 0.7133 NPC246974
Intermediate Similarity 0.7132 NPC33270
Intermediate Similarity 0.7132 NPC69261
Intermediate Similarity 0.7122 NPC474862
Intermediate Similarity 0.7122 NPC470804
Intermediate Similarity 0.7122 NPC476343
Intermediate Similarity 0.7122 NPC285289
Intermediate Similarity 0.7121 NPC137685
Intermediate Similarity 0.7121 NPC168657
Intermediate Similarity 0.7121 NPC474149
Intermediate Similarity 0.7114 NPC91953
Intermediate Similarity 0.7114 NPC469360
Intermediate Similarity 0.7113 NPC251466
Intermediate Similarity 0.7113 NPC156944
Intermediate Similarity 0.7113 NPC112596
Intermediate Similarity 0.7111 NPC473718
Intermediate Similarity 0.7107 NPC329837
Intermediate Similarity 0.7105 NPC313414
Intermediate Similarity 0.7105 NPC5462
Intermediate Similarity 0.7101 NPC148615

Drug Structure

External Identifiers

TTD   DAP000229
DrugBank   DB00211
ChEMBL   CHEMBL1201212
IUPHAR/BPS   7240
PharmaGKB   PA164749381
KEGG Drug  
PubChem CID   4195
ChEBI   6933
CAS Number  42794-76-3

Drug Properties

Molecular Weight  254.13
ALogP  -1.8602
MLogP  2.12
XLogP  -0.261
HDA  4
HBD  3
Rotatable Bonds  11
TPSA  97.3
RO5 Violation  0