Drug Information

Drug ID:  NPD602
Drug Name:  Orciprenaline
Molecular Formula:  C11H17NO3
Canonical SMILES:  OC(c1cc(O)cc(c1)O)CNC(C)C
Standard InCHI:  InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3
Standard InCHIKey:  LMOINURANNBYCM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD602

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 0.9833 NPC322366
High Similarity 0.9 NPC137096
High Similarity 0.8594 NPC323775
High Similarity 0.8594 NPC236347
High Similarity 0.8525 NPC213
High Similarity 0.8525 NPC10286
Intermediate Similarity 0.8047 NPC115627
Intermediate Similarity 0.8047 NPC169207
Intermediate Similarity 0.8047 NPC118522
Intermediate Similarity 0.8033 NPC290566
Intermediate Similarity 0.8033 NPC145638
Intermediate Similarity 0.8 NPC208757
Intermediate Similarity 0.7917 NPC147000
Intermediate Similarity 0.7917 NPC150254
Intermediate Similarity 0.7917 NPC226778
Intermediate Similarity 0.7917 NPC304761
Intermediate Similarity 0.7891 NPC85276
Intermediate Similarity 0.7833 NPC68055
Intermediate Similarity 0.7803 NPC307020
Intermediate Similarity 0.7803 NPC318777
Intermediate Similarity 0.775 NPC327226
Intermediate Similarity 0.7724 NPC305603
Intermediate Similarity 0.7724 NPC61033
Intermediate Similarity 0.7721 NPC262641
Intermediate Similarity 0.7667 NPC37205
Intermediate Similarity 0.7667 NPC160931
Intermediate Similarity 0.7552 NPC326241
Intermediate Similarity 0.7536 NPC326599
Intermediate Similarity 0.7536 NPC329595
Intermediate Similarity 0.7521 NPC166761
Intermediate Similarity 0.7521 NPC214200
Intermediate Similarity 0.7521 NPC228400
Intermediate Similarity 0.75 NPC303611
Intermediate Similarity 0.75 NPC226096
Intermediate Similarity 0.75 NPC290515
Intermediate Similarity 0.75 NPC164514
Intermediate Similarity 0.75 NPC108606
Intermediate Similarity 0.7482 NPC33338
Intermediate Similarity 0.7482 NPC300020
Intermediate Similarity 0.7482 NPC302171
Intermediate Similarity 0.7459 NPC24407
Intermediate Similarity 0.7459 NPC137415
Intermediate Similarity 0.7459 NPC166313
Intermediate Similarity 0.7459 NPC11280
Intermediate Similarity 0.7459 NPC192032
Intermediate Similarity 0.7459 NPC294186
Intermediate Similarity 0.7459 NPC147310
Intermediate Similarity 0.7445 NPC291847
Intermediate Similarity 0.7426 NPC318965
Intermediate Similarity 0.7422 NPC473521
Intermediate Similarity 0.7422 NPC146422
Intermediate Similarity 0.7398 NPC71002
Intermediate Similarity 0.7398 NPC53051
Intermediate Similarity 0.7398 NPC94351
Intermediate Similarity 0.7398 NPC24404
Intermediate Similarity 0.7398 NPC302219
Intermediate Similarity 0.7398 NPC106396
Intermediate Similarity 0.7398 NPC146798
Intermediate Similarity 0.7398 NPC242342
Intermediate Similarity 0.7398 NPC249828
Intermediate Similarity 0.7398 NPC168303
Intermediate Similarity 0.7398 NPC85479
Intermediate Similarity 0.7398 NPC313030
Intermediate Similarity 0.7398 NPC222522
Intermediate Similarity 0.7377 NPC10588
Intermediate Similarity 0.7364 NPC319803
Intermediate Similarity 0.7355 NPC474073
Intermediate Similarity 0.7353 NPC105513
Intermediate Similarity 0.7343 NPC214988
Intermediate Similarity 0.7339 NPC227458
Intermediate Similarity 0.7339 NPC244513
Intermediate Similarity 0.7339 NPC218879
Intermediate Similarity 0.7324 NPC64205
Intermediate Similarity 0.7317 NPC284011
Intermediate Similarity 0.7317 NPC72947
Intermediate Similarity 0.7311 NPC295295
Intermediate Similarity 0.7299 NPC141739
Intermediate Similarity 0.7299 NPC136112
Intermediate Similarity 0.7299 NPC320242
Intermediate Similarity 0.7295 NPC125732
Intermediate Similarity 0.7293 NPC283760
Intermediate Similarity 0.728 NPC37802
Intermediate Similarity 0.728 NPC471350
Intermediate Similarity 0.725 NPC215351
Intermediate Similarity 0.725 NPC20142
Intermediate Similarity 0.7236 NPC289381
Intermediate Similarity 0.7236 NPC155847
Intermediate Similarity 0.7231 NPC261343
Intermediate Similarity 0.7222 NPC12640
Intermediate Similarity 0.7222 NPC201662
Intermediate Similarity 0.7222 NPC99836
Intermediate Similarity 0.7218 NPC48781
Intermediate Similarity 0.7218 NPC9592
Intermediate Similarity 0.7215 NPC195392
Intermediate Similarity 0.7209 NPC21890
Intermediate Similarity 0.7206 NPC298486
Intermediate Similarity 0.72 NPC241891
Intermediate Similarity 0.7192 NPC204546
Intermediate Similarity 0.7177 NPC143659
Intermediate Similarity 0.7177 NPC100340
Intermediate Similarity 0.7172 NPC170170
Intermediate Similarity 0.7172 NPC211468
Intermediate Similarity 0.7172 NPC219233
Intermediate Similarity 0.7165 NPC232523
Intermediate Similarity 0.7165 NPC204901
Intermediate Similarity 0.7165 NPC158253
Intermediate Similarity 0.7152 NPC209377
Intermediate Similarity 0.7143 NPC134829
Intermediate Similarity 0.7143 NPC246056
Intermediate Similarity 0.7132 NPC168657
Intermediate Similarity 0.7123 NPC168861
Intermediate Similarity 0.7123 NPC323123
Intermediate Similarity 0.7113 NPC97870
Intermediate Similarity 0.7113 NPC149379
Intermediate Similarity 0.7113 NPC307123
Intermediate Similarity 0.7113 NPC247018
Intermediate Similarity 0.7111 NPC223451
Intermediate Similarity 0.7109 NPC174981
Intermediate Similarity 0.7107 NPC56887
Intermediate Similarity 0.7107 NPC193853
Intermediate Similarity 0.7107 NPC223077
Intermediate Similarity 0.7103 NPC231163
Intermediate Similarity 0.7103 NPC318591
Intermediate Similarity 0.7097 NPC29647
Intermediate Similarity 0.7097 NPC130103
Intermediate Similarity 0.7087 NPC109691
Intermediate Similarity 0.7087 NPC118286
Intermediate Similarity 0.7087 NPC470700
Intermediate Similarity 0.7087 NPC39664
Intermediate Similarity 0.7087 NPC302681
Intermediate Similarity 0.7087 NPC39097
Intermediate Similarity 0.7073 NPC291789
Intermediate Similarity 0.7071 NPC477839
Intermediate Similarity 0.7068 NPC106551
Intermediate Similarity 0.7068 NPC188867
Intermediate Similarity 0.7068 NPC123559
Intermediate Similarity 0.7068 NPC281686
Intermediate Similarity 0.7063 NPC30506
Intermediate Similarity 0.7063 NPC267237
Intermediate Similarity 0.7063 NPC102216
Intermediate Similarity 0.7054 NPC473524
Intermediate Similarity 0.7054 NPC24777
Intermediate Similarity 0.7054 NPC19808
Intermediate Similarity 0.7054 NPC299568
Intermediate Similarity 0.7054 NPC186385
Intermediate Similarity 0.7054 NPC33728
Intermediate Similarity 0.7049 NPC313650
Intermediate Similarity 0.7047 NPC294249
Intermediate Similarity 0.7045 NPC142599
Intermediate Similarity 0.7045 NPC118202
Intermediate Similarity 0.7031 NPC54844
Intermediate Similarity 0.7031 NPC66834
Intermediate Similarity 0.7029 NPC13020
Intermediate Similarity 0.7029 NPC140359
Intermediate Similarity 0.7016 NPC80027
Intermediate Similarity 0.7007 NPC474862
Intermediate Similarity 0.7 NPC312304
Intermediate Similarity 0.7 NPC475018
Remote Similarity 0.6993 NPC88667
Remote Similarity 0.6992 NPC317254
Remote Similarity 0.6984 NPC178902
Remote Similarity 0.6984 NPC235762
Remote Similarity 0.6984 NPC471228
Remote Similarity 0.696 NPC248573
Remote Similarity 0.696 NPC174911
Remote Similarity 0.696 NPC29601
Remote Similarity 0.696 NPC294741
Remote Similarity 0.696 NPC275053
Remote Similarity 0.696 NPC161571
Remote Similarity 0.6953 NPC164576
Remote Similarity 0.6953 NPC231705
Remote Similarity 0.695 NPC161593
Remote Similarity 0.695 NPC16031
Remote Similarity 0.695 NPC145888
Remote Similarity 0.6947 NPC165770
Remote Similarity 0.6947 NPC4493
Remote Similarity 0.6947 NPC476632
Remote Similarity 0.6947 NPC225679
Remote Similarity 0.6947 NPC224527
Remote Similarity 0.6943 NPC79328
Remote Similarity 0.6935 NPC88420
Remote Similarity 0.6929 NPC475225
Remote Similarity 0.6928 NPC60538
Remote Similarity 0.6928 NPC207824
Remote Similarity 0.6923 NPC292758
Remote Similarity 0.6923 NPC258056
Remote Similarity 0.6923 NPC316052
Remote Similarity 0.6923 NPC65855
Remote Similarity 0.6917 NPC22610
Remote Similarity 0.6917 NPC276737
Remote Similarity 0.6912 NPC239697
Remote Similarity 0.6906 NPC165375
Remote Similarity 0.6906 NPC220598
Remote Similarity 0.6901 NPC271808
Remote Similarity 0.6899 NPC142297
Remote Similarity 0.6894 NPC43525
Remote Similarity 0.6894 NPC166995
Remote Similarity 0.6894 NPC53146
Remote Similarity 0.6894 NPC188120
Remote Similarity 0.6894 NPC286790

Drug Structure

External Identifiers

TTD   DAP000811; DNC000927
DrugBank   DB00816
ChEMBL   CHEMBL776
IUPHAR/BPS   7250
PharmaGKB   PA450390
KEGG Drug   D00685
PubChem CID   4086
ChEBI   83329
CAS Number  586-06-1

Drug Properties

Molecular Weight  211.12
ALogP  -1.7879
MLogP  2.23
XLogP  0.384
HDA  2
HBD  4
Rotatable Bonds  9
TPSA  72.72
RO5 Violation  0