Drug Information

Drug ID:  NPD1237
Drug Name:  Benzoin
Molecular Formula:  C14H12O2
Canonical SMILES:  OC(C(=O)c1ccccc1)c1ccccc1
Standard InCHI:  InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
Standard InCHIKey:  ISAOCJYIOMOJEB-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1237

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 NPC249067
High Similarity 0.898 NPC289201
High Similarity 0.8932 NPC211439
High Similarity 0.8611 NPC196673
High Similarity 0.8598 NPC158282
High Similarity 0.8544 NPC255676
High Similarity 0.8515 NPC160548
High Similarity 0.8515 NPC175852
High Similarity 0.8515 NPC210529
Intermediate Similarity 0.8447 NPC25458
Intermediate Similarity 0.8426 NPC212718
Intermediate Similarity 0.84 NPC206764
Intermediate Similarity 0.8396 NPC141523
Intermediate Similarity 0.8393 NPC249435
Intermediate Similarity 0.8381 NPC105899
Intermediate Similarity 0.8333 NPC317280
Intermediate Similarity 0.8333 NPC329387
Intermediate Similarity 0.8283 NPC110704
Intermediate Similarity 0.8252 NPC217621
Intermediate Similarity 0.8208 NPC134120
Intermediate Similarity 0.8198 NPC285350
Intermediate Similarity 0.819 NPC160382
Intermediate Similarity 0.8182 NPC62765
Intermediate Similarity 0.8173 NPC42211
Intermediate Similarity 0.8158 NPC472708
Intermediate Similarity 0.8155 NPC229242
Intermediate Similarity 0.8148 NPC17525
Intermediate Similarity 0.8148 NPC318327
Intermediate Similarity 0.8119 NPC34243
Intermediate Similarity 0.8119 NPC261181
Intermediate Similarity 0.8108 NPC11824
Intermediate Similarity 0.81 NPC141607
Intermediate Similarity 0.81 NPC187725
Intermediate Similarity 0.8095 NPC304873
Intermediate Similarity 0.8091 NPC114682
Intermediate Similarity 0.8077 NPC118343
Intermediate Similarity 0.8058 NPC156021
Intermediate Similarity 0.8058 NPC253423
Intermediate Similarity 0.8019 NPC274443
Intermediate Similarity 0.8019 NPC329556
Intermediate Similarity 0.8018 NPC272524
Intermediate Similarity 0.8017 NPC472981
Intermediate Similarity 0.8 NPC476003
Intermediate Similarity 0.8 NPC21162
Intermediate Similarity 0.8 NPC116842
Intermediate Similarity 0.8 NPC252544
Intermediate Similarity 0.8 NPC474057
Intermediate Similarity 0.8 NPC321252
Intermediate Similarity 0.7966 NPC285394
Intermediate Similarity 0.7965 NPC23402
Intermediate Similarity 0.7965 NPC322197
Intermediate Similarity 0.7963 NPC69332
Intermediate Similarity 0.7963 NPC29989
Intermediate Similarity 0.7963 NPC95178
Intermediate Similarity 0.7961 NPC61944
Intermediate Similarity 0.7928 NPC268388
Intermediate Similarity 0.7928 NPC66208
Intermediate Similarity 0.7928 NPC177576
Intermediate Similarity 0.7925 NPC244427
Intermediate Similarity 0.7925 NPC284477
Intermediate Similarity 0.7925 NPC222390
Intermediate Similarity 0.7921 NPC317645
Intermediate Similarity 0.7913 NPC184527
Intermediate Similarity 0.7909 NPC95172
Intermediate Similarity 0.7909 NPC88141
Intermediate Similarity 0.7905 NPC228435
Intermediate Similarity 0.7895 NPC158157
Intermediate Similarity 0.789 NPC34715
Intermediate Similarity 0.789 NPC226699
Intermediate Similarity 0.7876 NPC306740
Intermediate Similarity 0.787 NPC172483
Intermediate Similarity 0.7869 NPC102829
Intermediate Similarity 0.7869 NPC120488
Intermediate Similarity 0.7845 NPC473767
Intermediate Similarity 0.7835 NPC273758
Intermediate Similarity 0.783 NPC282895
Intermediate Similarity 0.7818 NPC224584
Intermediate Similarity 0.7812 NPC117180
Intermediate Similarity 0.7812 NPC12936
Intermediate Similarity 0.7812 NPC273033
Intermediate Similarity 0.7798 NPC70843
Intermediate Similarity 0.7798 NPC6984
Intermediate Similarity 0.7788 NPC12695
Intermediate Similarity 0.7788 NPC474363
Intermediate Similarity 0.7778 NPC261573
Intermediate Similarity 0.7778 NPC7151
Intermediate Similarity 0.7778 NPC216297
Intermediate Similarity 0.7778 NPC473662
Intermediate Similarity 0.7778 NPC120693
Intermediate Similarity 0.7778 NPC318107
Intermediate Similarity 0.7778 NPC8931
Intermediate Similarity 0.7768 NPC474314
Intermediate Similarity 0.7768 NPC471188
Intermediate Similarity 0.7768 NPC186128
Intermediate Similarity 0.7759 NPC41567
Intermediate Similarity 0.7759 NPC318173
Intermediate Similarity 0.7755 NPC304538
Intermediate Similarity 0.775 NPC295664
Intermediate Similarity 0.7732 NPC99394
Intermediate Similarity 0.7732 NPC329319
Intermediate Similarity 0.7732 NPC103326
Intermediate Similarity 0.7732 NPC87299
Intermediate Similarity 0.7731 NPC65627
Intermediate Similarity 0.7731 NPC223351
Intermediate Similarity 0.7727 NPC470391
Intermediate Similarity 0.7727 NPC203732
Intermediate Similarity 0.7727 NPC249811
Intermediate Similarity 0.7719 NPC474685
Intermediate Similarity 0.7719 NPC186933
Intermediate Similarity 0.7719 NPC93181
Intermediate Similarity 0.7714 NPC249912
Intermediate Similarity 0.7714 NPC92754
Intermediate Similarity 0.7714 NPC276775
Intermediate Similarity 0.7712 NPC216216
Intermediate Similarity 0.7708 NPC71664
Intermediate Similarity 0.7706 NPC269457
Intermediate Similarity 0.77 NPC194326
Intermediate Similarity 0.7699 NPC128368
Intermediate Similarity 0.7692 NPC130398
Intermediate Similarity 0.7685 NPC474365
Intermediate Similarity 0.7685 NPC301943
Intermediate Similarity 0.7679 NPC260818
Intermediate Similarity 0.7679 NPC210089
Intermediate Similarity 0.7677 NPC95965
Intermediate Similarity 0.7677 NPC99482
Intermediate Similarity 0.7677 NPC123476
Intermediate Similarity 0.7664 NPC112552
Intermediate Similarity 0.7658 NPC265407
Intermediate Similarity 0.7658 NPC317305
Intermediate Similarity 0.7658 NPC83628
Intermediate Similarity 0.7658 NPC469636
Intermediate Similarity 0.7658 NPC85493
Intermediate Similarity 0.7647 NPC295034
Intermediate Similarity 0.7642 NPC225060
Intermediate Similarity 0.7642 NPC35448
Intermediate Similarity 0.7642 NPC78701
Intermediate Similarity 0.7636 NPC188677
Intermediate Similarity 0.7632 NPC242136
Intermediate Similarity 0.7632 NPC477411
Intermediate Similarity 0.7627 NPC473136
Intermediate Similarity 0.7627 NPC473243
Intermediate Similarity 0.7627 NPC159525
Intermediate Similarity 0.7615 NPC171831
Intermediate Similarity 0.7615 NPC242913
Intermediate Similarity 0.7615 NPC280616
Intermediate Similarity 0.7611 NPC321852
Intermediate Similarity 0.7611 NPC79496
Intermediate Similarity 0.7603 NPC74507
Intermediate Similarity 0.7603 NPC164014
Intermediate Similarity 0.7603 NPC234890
Intermediate Similarity 0.7593 NPC320891
Intermediate Similarity 0.7589 NPC326187
Intermediate Similarity 0.7586 NPC325646
Intermediate Similarity 0.7586 NPC28951
Intermediate Similarity 0.7583 NPC86900
Intermediate Similarity 0.7583 NPC217756
Intermediate Similarity 0.7573 NPC476484
Intermediate Similarity 0.757 NPC146351
Intermediate Similarity 0.757 NPC280869
Intermediate Similarity 0.7568 NPC303264
Intermediate Similarity 0.7563 NPC248363
Intermediate Similarity 0.7551 NPC475199
Intermediate Similarity 0.7551 NPC283012
Intermediate Similarity 0.7549 NPC231591
Intermediate Similarity 0.7549 NPC199567
Intermediate Similarity 0.7547 NPC103048
Intermediate Similarity 0.7547 NPC270654
Intermediate Similarity 0.7545 NPC13495
Intermediate Similarity 0.7545 NPC163734
Intermediate Similarity 0.7545 NPC219913
Intermediate Similarity 0.7544 NPC161611
Intermediate Similarity 0.7542 NPC158222
Intermediate Similarity 0.7542 NPC204784
Intermediate Similarity 0.7542 NPC188814
Intermediate Similarity 0.7542 NPC476645
Intermediate Similarity 0.7542 NPC195262
Intermediate Similarity 0.7541 NPC275576
Intermediate Similarity 0.7541 NPC236405
Intermediate Similarity 0.7525 NPC69057
Intermediate Similarity 0.7523 NPC135784
Intermediate Similarity 0.7523 NPC60679
Intermediate Similarity 0.7522 NPC265513
Intermediate Similarity 0.7522 NPC474157
Intermediate Similarity 0.7521 NPC80605
Intermediate Similarity 0.7521 NPC471466
Intermediate Similarity 0.7521 NPC228739
Intermediate Similarity 0.7521 NPC323440
Intermediate Similarity 0.7521 NPC222968
Intermediate Similarity 0.75 NPC120545
Intermediate Similarity 0.75 NPC130899
Intermediate Similarity 0.75 NPC70859
Intermediate Similarity 0.75 NPC301857
Intermediate Similarity 0.75 NPC61153
Intermediate Similarity 0.75 NPC283590
Intermediate Similarity 0.75 NPC70624
Intermediate Similarity 0.75 NPC31936
Intermediate Similarity 0.75 NPC156139
Intermediate Similarity 0.75 NPC226093
Intermediate Similarity 0.75 NPC475282
Intermediate Similarity 0.75 NPC161304

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  212.08
ALogP  -0.8812
MLogP  2.78
XLogP  4.905
HDA  2
HBD  1
Rotatable Bonds  4
TPSA  37.3
RO5 Violation  0