Drug Information

Drug ID:  NPD315
Drug Name:  Pseudoephedrine
Molecular Formula:  C10H15NO
Canonical SMILES:  CN[C@H]([C@H](c1ccccc1)O)C
Standard InCHI:  InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1
Standard InCHIKey:  KWGRBVOPPLSCSI-WCBMZHEXSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD315

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 1.0 NPC147000
High Similarity 1.0 NPC304761
High Similarity 1.0 NPC150254
High Similarity 1.0 NPC226778
High Similarity 0.9792 NPC327226
High Similarity 0.9479 NPC108606
High Similarity 0.9479 NPC303611
High Similarity 0.9479 NPC226096
High Similarity 0.9479 NPC290515
High Similarity 0.9479 NPC164514
High Similarity 0.9286 NPC214200
High Similarity 0.9286 NPC228400
High Similarity 0.9167 NPC20142
High Similarity 0.9167 NPC215351
High Similarity 0.8624 NPC10286
High Similarity 0.8624 NPC213
High Similarity 0.8585 NPC24777
Intermediate Similarity 0.8468 NPC137096
Intermediate Similarity 0.8073 NPC292758
Intermediate Similarity 0.8073 NPC290566
Intermediate Similarity 0.8073 NPC145638
Intermediate Similarity 0.8073 NPC65855
Intermediate Similarity 0.7965 NPC101139
Intermediate Similarity 0.7917 NPC103326
Intermediate Similarity 0.7917 NPC329319
Intermediate Similarity 0.7917 NPC87299
Intermediate Similarity 0.7917 NPC99394
Intermediate Similarity 0.787 NPC211551
Intermediate Similarity 0.7812 NPC117180
Intermediate Similarity 0.7769 NPC323775
Intermediate Similarity 0.7769 NPC236347
Intermediate Similarity 0.7769 NPC322366
Intermediate Similarity 0.7755 NPC304538
Intermediate Similarity 0.7736 NPC125732
Intermediate Similarity 0.7706 NPC67043
Intermediate Similarity 0.77 NPC211237
Intermediate Similarity 0.7685 NPC68055
Intermediate Similarity 0.767 NPC265521
Intermediate Similarity 0.7664 NPC155847
Intermediate Similarity 0.7664 NPC289381
Intermediate Similarity 0.7627 NPC326232
Intermediate Similarity 0.7611 NPC269340
Intermediate Similarity 0.76 NPC208757
Intermediate Similarity 0.7521 NPC307020
Intermediate Similarity 0.7475 NPC172984
Intermediate Similarity 0.7459 NPC474479
Intermediate Similarity 0.7458 NPC85276
Intermediate Similarity 0.7398 NPC320242
Intermediate Similarity 0.7398 NPC136112
Intermediate Similarity 0.7398 NPC141739
Intermediate Similarity 0.7396 NPC66655
Intermediate Similarity 0.7395 NPC283760
Intermediate Similarity 0.7358 NPC58674
Intermediate Similarity 0.7353 NPC198747
Intermediate Similarity 0.7345 NPC97811
Intermediate Similarity 0.7339 NPC316797
Intermediate Similarity 0.7333 NPC118522
Intermediate Similarity 0.7333 NPC115627
Intermediate Similarity 0.7333 NPC169207
Intermediate Similarity 0.7328 NPC1986
Intermediate Similarity 0.7328 NPC474544
Intermediate Similarity 0.7297 NPC88267
Intermediate Similarity 0.7297 NPC224610
Intermediate Similarity 0.7297 NPC194390
Intermediate Similarity 0.7297 NPC113326
Intermediate Similarity 0.7292 NPC139658
Intermediate Similarity 0.7288 NPC281686
Intermediate Similarity 0.7288 NPC188867
Intermediate Similarity 0.7288 NPC106551
Intermediate Similarity 0.728 NPC469666
Intermediate Similarity 0.7273 NPC133050
Intermediate Similarity 0.7255 NPC93843
Intermediate Similarity 0.7222 NPC122493
Intermediate Similarity 0.7222 NPC10781
Intermediate Similarity 0.7222 NPC293628
Intermediate Similarity 0.7212 NPC1793
Intermediate Similarity 0.7207 NPC178902
Intermediate Similarity 0.7197 NPC168861
Intermediate Similarity 0.7188 NPC247018
Intermediate Similarity 0.7188 NPC97870
Intermediate Similarity 0.7188 NPC307123
Intermediate Similarity 0.7182 NPC29601
Intermediate Similarity 0.7179 NPC26524
Intermediate Similarity 0.7155 NPC21890
Intermediate Similarity 0.7143 NPC2265
Intermediate Similarity 0.7143 NPC204546
Intermediate Similarity 0.7143 NPC40488
Intermediate Similarity 0.7129 NPC146703
Intermediate Similarity 0.7119 NPC118202
Intermediate Similarity 0.7107 NPC239697
Intermediate Similarity 0.7105 NPC186469
Intermediate Similarity 0.7103 NPC325292
Intermediate Similarity 0.7103 NPC138117
Intermediate Similarity 0.7097 NPC285394
Intermediate Similarity 0.7094 NPC146422
Intermediate Similarity 0.7083 NPC122327
Intermediate Similarity 0.7083 NPC113000
Intermediate Similarity 0.7083 NPC112609
Intermediate Similarity 0.7083 NPC108218
Intermediate Similarity 0.708 NPC42383
Intermediate Similarity 0.7075 NPC226438
Intermediate Similarity 0.7073 NPC474862
Intermediate Similarity 0.7064 NPC324569
Intermediate Similarity 0.7059 NPC317254
Intermediate Similarity 0.7059 NPC168855
Intermediate Similarity 0.7045 NPC214988
Intermediate Similarity 0.7037 NPC161972
Intermediate Similarity 0.7037 NPC303045
Intermediate Similarity 0.703 NPC475199
Intermediate Similarity 0.703 NPC283012
Intermediate Similarity 0.7025 NPC317784
Intermediate Similarity 0.7025 NPC314992
Intermediate Similarity 0.7025 NPC142638
Intermediate Similarity 0.7018 NPC327481
Intermediate Similarity 0.7018 NPC231705
Intermediate Similarity 0.7 NPC192623
Remote Similarity 0.6992 NPC273830
Remote Similarity 0.6992 NPC56634
Remote Similarity 0.699 NPC474354
Remote Similarity 0.6984 NPC65310
Remote Similarity 0.6983 NPC258056
Remote Similarity 0.6981 NPC316108
Remote Similarity 0.6972 NPC3371
Remote Similarity 0.6972 NPC25565
Remote Similarity 0.6972 NPC313650
Remote Similarity 0.697 NPC224544
Remote Similarity 0.6964 NPC318154
Remote Similarity 0.6957 NPC142297
Remote Similarity 0.6947 NPC293377
Remote Similarity 0.6947 NPC260045
Remote Similarity 0.6947 NPC76785
Remote Similarity 0.6947 NPC9687
Remote Similarity 0.6947 NPC273907
Remote Similarity 0.6947 NPC474787
Remote Similarity 0.6947 NPC118099
Remote Similarity 0.6947 NPC475598
Remote Similarity 0.6947 NPC151706
Remote Similarity 0.6947 NPC474811
Remote Similarity 0.6947 NPC90194
Remote Similarity 0.6947 NPC474855
Remote Similarity 0.6947 NPC475318
Remote Similarity 0.6947 NPC49577
Remote Similarity 0.6947 NPC79465
Remote Similarity 0.6947 NPC476102
Remote Similarity 0.6935 NPC27581
Remote Similarity 0.6923 NPC474149
Remote Similarity 0.6923 NPC474211
Remote Similarity 0.6916 NPC79917
Remote Similarity 0.6916 NPC300017
Remote Similarity 0.6911 NPC190663
Remote Similarity 0.6909 NPC33168
Remote Similarity 0.6909 NPC473501
Remote Similarity 0.6909 NPC475439
Remote Similarity 0.6903 NPC164859
Remote Similarity 0.6897 NPC153690
Remote Similarity 0.6891 NPC59387
Remote Similarity 0.6887 NPC199567
Remote Similarity 0.6887 NPC470877
Remote Similarity 0.6875 NPC311753
Remote Similarity 0.6875 NPC208302
Remote Similarity 0.687 NPC267237
Remote Similarity 0.6869 NPC98269
Remote Similarity 0.6869 NPC325662
Remote Similarity 0.6869 NPC290638
Remote Similarity 0.686 NPC82963
Remote Similarity 0.6855 NPC326079
Remote Similarity 0.6847 NPC107619
Remote Similarity 0.6847 NPC474073
Remote Similarity 0.6847 NPC322598
Remote Similarity 0.6846 NPC326599
Remote Similarity 0.6846 NPC329595
Remote Similarity 0.6837 NPC189371
Remote Similarity 0.6832 NPC328178
Remote Similarity 0.6829 NPC319950
Remote Similarity 0.6827 NPC99482
Remote Similarity 0.6825 NPC328267
Remote Similarity 0.6822 NPC209764
Remote Similarity 0.6822 NPC159178
Remote Similarity 0.6822 NPC78041
Remote Similarity 0.6822 NPC471307
Remote Similarity 0.6822 NPC141139
Remote Similarity 0.6822 NPC121872
Remote Similarity 0.6822 NPC74936
Remote Similarity 0.6818 NPC21959
Remote Similarity 0.6803 NPC311737
Remote Similarity 0.6803 NPC38458
Remote Similarity 0.68 NPC160493
Remote Similarity 0.68 NPC12857
Remote Similarity 0.6794 NPC300020
Remote Similarity 0.6794 NPC33338
Remote Similarity 0.6794 NPC149379
Remote Similarity 0.6794 NPC302171
Remote Similarity 0.6792 NPC407
Remote Similarity 0.6792 NPC23167
Remote Similarity 0.6792 NPC307235
Remote Similarity 0.6791 NPC231163
Remote Similarity 0.6791 NPC318591
Remote Similarity 0.6786 NPC12730
Remote Similarity 0.6783 NPC476198
Remote Similarity 0.6772 NPC477248

Drug Structure

External Identifiers

TTD   DAP000195
DrugBank   DB00852
ChEMBL   CHEMBL1590
IUPHAR/BPS   7286
PharmaGKB   PA451170
KEGG Drug   D08449
PubChem CID   7028
ChEBI   51209
CAS Number  90-82-4

Drug Properties

Molecular Weight  165.12
ALogP  -0.8279
MLogP  2.34
XLogP  2.52
HDA  2
HBD  2
Rotatable Bonds  6
TPSA  32.26
RO5 Violation  0