Drug Information

Drug ID:  NPD3556
Drug Name:  Formoterol Fumarate Dihydrate
Molecular Formula:  C19H24N2O4.C4H4O4.2H2O
Canonical SMILES:  OC(=O)/C=C/C(=O)O.OC=Nc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O.O.O
Standard InCHI:  InChI=1S/C19H24N2O4.C4H4O4.2H2O/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;5-3(6)1-2-4(7)8;;/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2H,(H,5,6)(H,7,8);2*1H2/b;2-1+;;
Standard InCHIKey:  PAANKGSMSCGEOJ-WFNHHOHWSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3556

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 0.8411 NPC314113
Intermediate Similarity 0.8 NPC313466
Intermediate Similarity 0.7568 NPC214368
Intermediate Similarity 0.75 NPC231862
Intermediate Similarity 0.75 NPC41801
Intermediate Similarity 0.7483 NPC95733
Intermediate Similarity 0.7483 NPC62101
Intermediate Similarity 0.7472 NPC313886
Intermediate Similarity 0.7471 NPC204179
Intermediate Similarity 0.7446 NPC314948
Intermediate Similarity 0.7434 NPC29477
Intermediate Similarity 0.7425 NPC10730
Intermediate Similarity 0.7425 NPC10875
Intermediate Similarity 0.7375 NPC212850
Intermediate Similarity 0.7375 NPC83289
Intermediate Similarity 0.7375 NPC189724
Intermediate Similarity 0.7353 NPC57105
Intermediate Similarity 0.7351 NPC478049
Intermediate Similarity 0.7337 NPC37205
Intermediate Similarity 0.7337 NPC160931
Intermediate Similarity 0.7317 NPC245974
Intermediate Similarity 0.7303 NPC211218
Intermediate Similarity 0.7297 NPC323948
Intermediate Similarity 0.7294 NPC306366
Intermediate Similarity 0.7279 NPC213
Intermediate Similarity 0.7279 NPC10286
Intermediate Similarity 0.7261 NPC307123
Intermediate Similarity 0.7261 NPC97870
Intermediate Similarity 0.7261 NPC247018
Intermediate Similarity 0.7233 NPC237227
Intermediate Similarity 0.7225 NPC314861
Intermediate Similarity 0.7208 NPC320242
Intermediate Similarity 0.7195 NPC247298
Intermediate Similarity 0.719 NPC307020
Intermediate Similarity 0.7186 NPC60538
Intermediate Similarity 0.7186 NPC207824
Intermediate Similarity 0.7159 NPC225381
Intermediate Similarity 0.7143 NPC14600
Intermediate Similarity 0.7143 NPC204848
Intermediate Similarity 0.7143 NPC312770
Intermediate Similarity 0.7143 NPC160607
Intermediate Similarity 0.7143 NPC41473
Intermediate Similarity 0.7117 NPC204546
Intermediate Similarity 0.7101 NPC277669
Intermediate Similarity 0.7101 NPC76213
Intermediate Similarity 0.7093 NPC235628
Intermediate Similarity 0.7086 NPC43275
Intermediate Similarity 0.7055 NPC168861
Intermediate Similarity 0.7045 NPC195392
Intermediate Similarity 0.7044 NPC471953
Intermediate Similarity 0.7033 NPC469829
Intermediate Similarity 0.7018 NPC2295
Intermediate Similarity 0.7018 NPC477564
Intermediate Similarity 0.7013 NPC471314
Intermediate Similarity 0.7013 NPC471315
Intermediate Similarity 0.7011 NPC139506
Intermediate Similarity 0.7011 NPC292143
Intermediate Similarity 0.7005 NPC78284
Intermediate Similarity 0.7 NPC316161
Remote Similarity 0.6995 NPC473422
Remote Similarity 0.6994 NPC299583
Remote Similarity 0.6987 NPC141739
Remote Similarity 0.6987 NPC136112
Remote Similarity 0.6983 NPC168153
Remote Similarity 0.6968 NPC328267
Remote Similarity 0.6962 NPC471321
Remote Similarity 0.6962 NPC471306
Remote Similarity 0.6946 NPC9373
Remote Similarity 0.6943 NPC218323
Remote Similarity 0.6937 NPC274732
Remote Similarity 0.6937 NPC208757
Remote Similarity 0.6933 NPC318591
Remote Similarity 0.6933 NPC214988
Remote Similarity 0.6933 NPC231163
Remote Similarity 0.6928 NPC263835
Remote Similarity 0.6919 NPC233926
Remote Similarity 0.691 NPC310894
Remote Similarity 0.691 NPC83241
Remote Similarity 0.6893 NPC169743
Remote Similarity 0.6893 NPC209377
Remote Similarity 0.6891 NPC311357
Remote Similarity 0.6886 NPC294249
Remote Similarity 0.6883 NPC83279
Remote Similarity 0.6875 NPC326599
Remote Similarity 0.6875 NPC329595
Remote Similarity 0.6871 NPC290566
Remote Similarity 0.6871 NPC145638
Remote Similarity 0.6863 NPC283760
Remote Similarity 0.6859 NPC217277
Remote Similarity 0.6857 NPC191863
Remote Similarity 0.6857 NPC133470
Remote Similarity 0.6857 NPC289776
Remote Similarity 0.6854 NPC223077
Remote Similarity 0.6854 NPC193853
Remote Similarity 0.6854 NPC56887
Remote Similarity 0.6851 NPC477020
Remote Similarity 0.6851 NPC192135
Remote Similarity 0.6851 NPC66341
Remote Similarity 0.6845 NPC185838
Remote Similarity 0.6845 NPC474059
Remote Similarity 0.6842 NPC47672
Remote Similarity 0.6833 NPC95412
Remote Similarity 0.6833 NPC109925
Remote Similarity 0.6833 NPC26240
Remote Similarity 0.6833 NPC69712
Remote Similarity 0.6833 NPC477562
Remote Similarity 0.6829 NPC193528
Remote Similarity 0.6826 NPC63628
Remote Similarity 0.6826 NPC178466
Remote Similarity 0.6824 NPC246587
Remote Similarity 0.6824 NPC135538
Remote Similarity 0.6824 NPC147390
Remote Similarity 0.6824 NPC476571
Remote Similarity 0.6824 NPC24233
Remote Similarity 0.6824 NPC428
Remote Similarity 0.6821 NPC315257
Remote Similarity 0.6821 NPC222982
Remote Similarity 0.6821 NPC303370
Remote Similarity 0.6818 NPC160120
Remote Similarity 0.6818 NPC17388
Remote Similarity 0.6818 NPC53596
Remote Similarity 0.6818 NPC321133
Remote Similarity 0.6818 NPC289330
Remote Similarity 0.6818 NPC471308
Remote Similarity 0.6816 NPC150879
Remote Similarity 0.6811 NPC476575
Remote Similarity 0.6803 NPC97811
Remote Similarity 0.68 NPC79328
Remote Similarity 0.68 NPC26524
Remote Similarity 0.6798 NPC134858
Remote Similarity 0.6798 NPC121275
Remote Similarity 0.6798 NPC284183
Remote Similarity 0.6798 NPC4138
Remote Similarity 0.6793 NPC469831
Remote Similarity 0.6792 NPC251571
Remote Similarity 0.6791 NPC320088
Remote Similarity 0.6791 NPC217294
Remote Similarity 0.679 NPC267237
Remote Similarity 0.678 NPC70172
Remote Similarity 0.6778 NPC73280
Remote Similarity 0.6776 NPC258992
Remote Similarity 0.677 NPC114102
Remote Similarity 0.6768 NPC477160
Remote Similarity 0.6765 NPC321505
Remote Similarity 0.6765 NPC115144
Remote Similarity 0.6765 NPC191376
Remote Similarity 0.6765 NPC476151
Remote Similarity 0.6765 NPC179825
Remote Similarity 0.6765 NPC277857
Remote Similarity 0.6761 NPC92191
Remote Similarity 0.6761 NPC59028
Remote Similarity 0.676 NPC35627
Remote Similarity 0.676 NPC476573
Remote Similarity 0.676 NPC81247
Remote Similarity 0.6758 NPC315631
Remote Similarity 0.6755 NPC283207
Remote Similarity 0.6754 NPC108847
Remote Similarity 0.6753 NPC256369
Remote Similarity 0.6749 NPC469594
Remote Similarity 0.6748 NPC470441
Remote Similarity 0.6744 NPC13397
Remote Similarity 0.6742 NPC233650
Remote Similarity 0.6742 NPC124433
Remote Similarity 0.6742 NPC293871
Remote Similarity 0.6739 NPC472163
Remote Similarity 0.6737 NPC117717
Remote Similarity 0.6732 NPC311737
Remote Similarity 0.6732 NPC137096
Remote Similarity 0.6732 NPC38458
Remote Similarity 0.673 NPC322366
Remote Similarity 0.673 NPC236347
Remote Similarity 0.673 NPC323775
Remote Similarity 0.6728 NPC93882
Remote Similarity 0.6728 NPC214869
Remote Similarity 0.6728 NPC130595
Remote Similarity 0.6727 NPC253429
Remote Similarity 0.6724 NPC156311
Remote Similarity 0.6723 NPC158900
Remote Similarity 0.6722 NPC210140
Remote Similarity 0.6721 NPC474815
Remote Similarity 0.6721 NPC329969
Remote Similarity 0.6708 NPC195749
Remote Similarity 0.6708 NPC52029
Remote Similarity 0.6708 NPC35961
Remote Similarity 0.6707 NPC64205
Remote Similarity 0.6706 NPC132771
Remote Similarity 0.6703 NPC108434
Remote Similarity 0.6703 NPC215747
Remote Similarity 0.6703 NPC475215
Remote Similarity 0.6703 NPC474507
Remote Similarity 0.6703 NPC473432
Remote Similarity 0.6703 NPC192939
Remote Similarity 0.6689 NPC146530
Remote Similarity 0.6689 NPC264782
Remote Similarity 0.6687 NPC172403
Remote Similarity 0.6687 NPC6854
Remote Similarity 0.6687 NPC313737
Remote Similarity 0.6687 NPC285078
Remote Similarity 0.6687 NPC101372
Remote Similarity 0.6687 NPC314252

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  344.17
ALogP  -1.5188
MLogP  2.89
XLogP  2.71
HDA  4
HBD  4
Rotatable Bonds  13
TPSA  94.31
RO5 Violation  0