Drug Information

Drug ID:  NPD9382
Drug Name:  Pyridoxine Hydrochloride
Molecular Formula:  C8H11NO3.ClH
Canonical SMILES:  OCc1c(CO)cnc(c1O)C.Cl
Standard InCHI:  InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H
Standard InCHIKey:  ZUFQODAHGAHPFQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9382

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 NPC132680
High Similarity 1.0 NPC269919
High Similarity 0.9862 NPC63562
High Similarity 0.9732 NPC263439
High Similarity 0.9597 NPC324203
High Similarity 0.9597 NPC322976
High Similarity 0.9597 NPC63338
High Similarity 0.9342 NPC211187
High Similarity 0.9103 NPC256828
High Similarity 0.8827 NPC325705
High Similarity 0.8827 NPC52831
Intermediate Similarity 0.8402 NPC36498
Intermediate Similarity 0.8312 NPC220523
Intermediate Similarity 0.7987 NPC153769
Intermediate Similarity 0.7949 NPC471598
Intermediate Similarity 0.7886 NPC3715
Intermediate Similarity 0.7857 NPC471596
Intermediate Similarity 0.7806 NPC280853
Intermediate Similarity 0.7798 NPC252590
Intermediate Similarity 0.7756 NPC285016
Intermediate Similarity 0.7756 NPC245657
Intermediate Similarity 0.7738 NPC473764
Intermediate Similarity 0.7738 NPC314940
Intermediate Similarity 0.7736 NPC161292
Intermediate Similarity 0.7711 NPC473057
Intermediate Similarity 0.7697 NPC174421
Intermediate Similarity 0.7658 NPC470394
Intermediate Similarity 0.7658 NPC470404
Intermediate Similarity 0.7658 NPC470403
Intermediate Similarity 0.7643 NPC318935
Intermediate Similarity 0.7628 NPC471594
Intermediate Similarity 0.7619 NPC108469
Intermediate Similarity 0.7562 NPC470395
Intermediate Similarity 0.7558 NPC194724
Intermediate Similarity 0.755 NPC165370
Intermediate Similarity 0.7456 NPC471178
Intermediate Similarity 0.7434 NPC212125
Intermediate Similarity 0.7384 NPC253810
Intermediate Similarity 0.7365 NPC138018
Intermediate Similarity 0.7354 NPC316403
Intermediate Similarity 0.7337 NPC224928
Intermediate Similarity 0.7333 NPC284348
Intermediate Similarity 0.733 NPC478032
Intermediate Similarity 0.732 NPC477110
Intermediate Similarity 0.7288 NPC219963
Intermediate Similarity 0.7278 NPC25899
Intermediate Similarity 0.7278 NPC328029
Intermediate Similarity 0.7278 NPC29702
Intermediate Similarity 0.7267 NPC44161
Intermediate Similarity 0.7262 NPC116573
Intermediate Similarity 0.7258 NPC476167
Intermediate Similarity 0.7235 NPC124542
Intermediate Similarity 0.7235 NPC59779
Intermediate Similarity 0.7235 NPC471177
Intermediate Similarity 0.7219 NPC84508
Intermediate Similarity 0.7208 NPC306397
Intermediate Similarity 0.7207 NPC207851
Intermediate Similarity 0.7204 NPC192315
Intermediate Similarity 0.7193 NPC97367
Intermediate Similarity 0.719 NPC151489
Intermediate Similarity 0.7182 NPC46580
Intermediate Similarity 0.7167 NPC42591
Intermediate Similarity 0.7167 NPC314002
Intermediate Similarity 0.7157 NPC314270
Intermediate Similarity 0.7152 NPC257142
Intermediate Similarity 0.715 NPC5145
Intermediate Similarity 0.7135 NPC48192
Intermediate Similarity 0.7134 NPC256893
Intermediate Similarity 0.7121 NPC315804
Intermediate Similarity 0.7121 NPC313804
Intermediate Similarity 0.7119 NPC96890
Intermediate Similarity 0.7111 NPC204717
Intermediate Similarity 0.7111 NPC320394
Intermediate Similarity 0.7095 NPC266551
Intermediate Similarity 0.7095 NPC161887
Intermediate Similarity 0.7081 NPC226202
Intermediate Similarity 0.7073 NPC471323
Intermediate Similarity 0.7072 NPC295158
Intermediate Similarity 0.7069 NPC319456
Intermediate Similarity 0.7062 NPC150048
Intermediate Similarity 0.7062 NPC203754
Intermediate Similarity 0.7056 NPC8022
Intermediate Similarity 0.7056 NPC220765
Intermediate Similarity 0.7056 NPC470799
Intermediate Similarity 0.7053 NPC470678
Intermediate Similarity 0.7047 NPC477111
Intermediate Similarity 0.7047 NPC18348
Intermediate Similarity 0.7033 NPC171171
Intermediate Similarity 0.7022 NPC184964
Intermediate Similarity 0.7017 NPC284559
Intermediate Similarity 0.7011 NPC41717
Intermediate Similarity 0.7005 NPC251090
Remote Similarity 0.6994 NPC102423
Remote Similarity 0.6989 NPC273532
Remote Similarity 0.6989 NPC158129
Remote Similarity 0.6989 NPC329541
Remote Similarity 0.6989 NPC289786
Remote Similarity 0.6983 NPC42979
Remote Similarity 0.6979 NPC470500
Remote Similarity 0.6978 NPC62510
Remote Similarity 0.6978 NPC241025
Remote Similarity 0.6968 NPC267928
Remote Similarity 0.6966 NPC224764
Remote Similarity 0.6957 NPC75544
Remote Similarity 0.6951 NPC60553
Remote Similarity 0.6943 NPC477113
Remote Similarity 0.694 NPC314573
Remote Similarity 0.6936 NPC79911
Remote Similarity 0.6936 NPC71079
Remote Similarity 0.6927 NPC283152
Remote Similarity 0.6915 NPC473053
Remote Similarity 0.6911 NPC155792
Remote Similarity 0.6906 NPC470474
Remote Similarity 0.69 NPC173080
Remote Similarity 0.6897 NPC474217
Remote Similarity 0.6893 NPC302647
Remote Similarity 0.6893 NPC249614
Remote Similarity 0.6891 NPC274291
Remote Similarity 0.6891 NPC47059
Remote Similarity 0.6891 NPC118832
Remote Similarity 0.6891 NPC264166
Remote Similarity 0.6891 NPC165349
Remote Similarity 0.6891 NPC472259
Remote Similarity 0.6891 NPC329708
Remote Similarity 0.6882 NPC114974
Remote Similarity 0.6879 NPC120798
Remote Similarity 0.6878 NPC244536
Remote Similarity 0.6868 NPC48938
Remote Similarity 0.6865 NPC32771
Remote Similarity 0.6857 NPC85918
Remote Similarity 0.6855 NPC315320
Remote Similarity 0.6854 NPC313791
Remote Similarity 0.6845 NPC99666
Remote Similarity 0.6845 NPC195268
Remote Similarity 0.6845 NPC133140
Remote Similarity 0.6842 NPC472284
Remote Similarity 0.6842 NPC263455
Remote Similarity 0.6839 NPC200836
Remote Similarity 0.6839 NPC475774
Remote Similarity 0.6839 NPC177404
Remote Similarity 0.6836 NPC126481
Remote Similarity 0.6831 NPC62069
Remote Similarity 0.6825 NPC242209
Remote Similarity 0.6821 NPC230869
Remote Similarity 0.6821 NPC113812
Remote Similarity 0.6818 NPC278366
Remote Similarity 0.6818 NPC127730
Remote Similarity 0.68 NPC476446
Remote Similarity 0.68 NPC469813
Remote Similarity 0.68 NPC78375
Remote Similarity 0.6793 NPC20249
Remote Similarity 0.6789 NPC156704
Remote Similarity 0.6788 NPC211813
Remote Similarity 0.6782 NPC131718
Remote Similarity 0.6778 NPC288943
Remote Similarity 0.6774 NPC472289
Remote Similarity 0.6772 NPC326634
Remote Similarity 0.6771 NPC19872
Remote Similarity 0.6763 NPC212742
Remote Similarity 0.676 NPC471294
Remote Similarity 0.6758 NPC317010
Remote Similarity 0.6755 NPC56170
Remote Similarity 0.6753 NPC53144
Remote Similarity 0.6751 NPC185782
Remote Similarity 0.6735 NPC88008
Remote Similarity 0.6734 NPC202605
Remote Similarity 0.6734 NPC26679
Remote Similarity 0.6734 NPC112206
Remote Similarity 0.6733 NPC473822
Remote Similarity 0.672 NPC66083
Remote Similarity 0.672 NPC106937
Remote Similarity 0.672 NPC307963
Remote Similarity 0.6718 NPC475070
Remote Similarity 0.6708 NPC324611
Remote Similarity 0.6704 NPC14651
Remote Similarity 0.6704 NPC121658
Remote Similarity 0.6703 NPC164340
Remote Similarity 0.6702 NPC77555
Remote Similarity 0.6702 NPC90229
Remote Similarity 0.6702 NPC469390
Remote Similarity 0.6686 NPC302159
Remote Similarity 0.6685 NPC134586
Remote Similarity 0.6684 NPC110741
Remote Similarity 0.6684 NPC44354
Remote Similarity 0.6684 NPC249040
Remote Similarity 0.6684 NPC315491
Remote Similarity 0.6684 NPC472287
Remote Similarity 0.6684 NPC472286
Remote Similarity 0.6684 NPC45459
Remote Similarity 0.6684 NPC213308
Remote Similarity 0.6684 NPC230805
Remote Similarity 0.6667 NPC475870
Remote Similarity 0.6667 NPC324149
Remote Similarity 0.6667 NPC245816
Remote Similarity 0.6667 NPC259545
Remote Similarity 0.6667 NPC476138
Remote Similarity 0.6667 NPC61350
Remote Similarity 0.6667 NPC322488
Remote Similarity 0.6667 NPC471313
Remote Similarity 0.6667 NPC471311

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  169.07
ALogP  -0.9182
MLogP  1.9
XLogP  -0.677
HDA  3
HBD  3
Rotatable Bonds  6
TPSA  73.58
RO5 Violation  0