Drug Information

Drug ID:  NPD1611
Drug Name:  Acetomenaphthone
Molecular Formula:  C15H14O4
Canonical SMILES:  CC(=O)Oc1cc(C)c(c2c1cccc2)OC(=O)C
Standard InCHI:  InChI=1S/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3
Standard InCHIKey:  RYWSYCQQUDFMAU-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1611

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 0.9244 NPC473464
High Similarity 0.9244 NPC476332
High Similarity 0.8917 NPC212559
High Similarity 0.8889 NPC283169
High Similarity 0.8837 NPC115861
High Similarity 0.8793 NPC280760
High Similarity 0.8692 NPC265515
High Similarity 0.8651 NPC81261
High Similarity 0.864 NPC128321
High Similarity 0.8629 NPC61685
High Similarity 0.8583 NPC238075
High Similarity 0.8504 NPC176590
Intermediate Similarity 0.8487 NPC87563
Intermediate Similarity 0.8462 NPC472524
Intermediate Similarity 0.8455 NPC277798
Intermediate Similarity 0.8455 NPC100108
Intermediate Similarity 0.8455 NPC322569
Intermediate Similarity 0.8443 NPC98748
Intermediate Similarity 0.8425 NPC156298
Intermediate Similarity 0.84 NPC248786
Intermediate Similarity 0.8374 NPC14177
Intermediate Similarity 0.832 NPC302211
Intermediate Similarity 0.8306 NPC45663
Intermediate Similarity 0.8306 NPC129176
Intermediate Similarity 0.824 NPC48623
Intermediate Similarity 0.824 NPC168707
Intermediate Similarity 0.8231 NPC249425
Intermediate Similarity 0.8222 NPC476191
Intermediate Similarity 0.8211 NPC63010
Intermediate Similarity 0.8189 NPC111088
Intermediate Similarity 0.8189 NPC474237
Intermediate Similarity 0.8162 NPC472523
Intermediate Similarity 0.813 NPC25648
Intermediate Similarity 0.8125 NPC279118
Intermediate Similarity 0.8125 NPC170749
Intermediate Similarity 0.812 NPC30416
Intermediate Similarity 0.8095 NPC475839
Intermediate Similarity 0.8074 NPC471542
Intermediate Similarity 0.8065 NPC139047
Intermediate Similarity 0.8062 NPC329272
Intermediate Similarity 0.8049 NPC163398
Intermediate Similarity 0.8 NPC142087
Intermediate Similarity 0.8 NPC471449
Intermediate Similarity 0.8 NPC95034
Intermediate Similarity 0.7986 NPC36732
Intermediate Similarity 0.7985 NPC71372
Intermediate Similarity 0.7985 NPC27394
Intermediate Similarity 0.7984 NPC133407
Intermediate Similarity 0.7984 NPC320847
Intermediate Similarity 0.7984 NPC232387
Intermediate Similarity 0.7984 NPC28476
Intermediate Similarity 0.797 NPC19157
Intermediate Similarity 0.7969 NPC470887
Intermediate Similarity 0.7967 NPC473718
Intermediate Similarity 0.7949 NPC241224
Intermediate Similarity 0.7943 NPC211565
Intermediate Similarity 0.7943 NPC60389
Intermediate Similarity 0.7934 NPC470723
Intermediate Similarity 0.7931 NPC307425
Intermediate Similarity 0.7907 NPC89630
Intermediate Similarity 0.7907 NPC107846
Intermediate Similarity 0.7907 NPC248557
Intermediate Similarity 0.7903 NPC69539
Intermediate Similarity 0.7903 NPC312105
Intermediate Similarity 0.7895 NPC258073
Intermediate Similarity 0.7895 NPC191395
Intermediate Similarity 0.7891 NPC188997
Intermediate Similarity 0.7883 NPC265335
Intermediate Similarity 0.7881 NPC139891
Intermediate Similarity 0.7879 NPC16577
Intermediate Similarity 0.7863 NPC12870
Intermediate Similarity 0.7863 NPC24327
Intermediate Similarity 0.7857 NPC234956
Intermediate Similarity 0.7857 NPC51341
Intermediate Similarity 0.7845 NPC107101
Intermediate Similarity 0.784 NPC471503
Intermediate Similarity 0.784 NPC471498
Intermediate Similarity 0.784 NPC238176
Intermediate Similarity 0.784 NPC187993
Intermediate Similarity 0.7829 NPC261992
Intermediate Similarity 0.7826 NPC79372
Intermediate Similarity 0.7823 NPC301321
Intermediate Similarity 0.782 NPC325003
Intermediate Similarity 0.782 NPC11089
Intermediate Similarity 0.782 NPC475102
Intermediate Similarity 0.7805 NPC303522
Intermediate Similarity 0.7803 NPC181675
Intermediate Similarity 0.7801 NPC86069
Intermediate Similarity 0.7801 NPC125617
Intermediate Similarity 0.7797 NPC283546
Intermediate Similarity 0.7795 NPC103916
Intermediate Similarity 0.7794 NPC234865
Intermediate Similarity 0.7787 NPC233238
Intermediate Similarity 0.7786 NPC101894
Intermediate Similarity 0.7778 NPC300166
Intermediate Similarity 0.7769 NPC75432
Intermediate Similarity 0.7769 NPC140521
Intermediate Similarity 0.7769 NPC149545
Intermediate Similarity 0.7761 NPC160623
Intermediate Similarity 0.776 NPC242580
Intermediate Similarity 0.776 NPC126759
Intermediate Similarity 0.776 NPC236070
Intermediate Similarity 0.7744 NPC206028
Intermediate Similarity 0.7742 NPC470837
Intermediate Similarity 0.7737 NPC92932
Intermediate Similarity 0.7737 NPC286843
Intermediate Similarity 0.7731 NPC473855
Intermediate Similarity 0.773 NPC472840
Intermediate Similarity 0.7727 NPC474670
Intermediate Similarity 0.7727 NPC474821
Intermediate Similarity 0.7724 NPC474920
Intermediate Similarity 0.7724 NPC98372
Intermediate Similarity 0.7721 NPC474600
Intermediate Similarity 0.7721 NPC473054
Intermediate Similarity 0.7717 NPC32152
Intermediate Similarity 0.771 NPC249836
Intermediate Similarity 0.7705 NPC473809
Intermediate Similarity 0.7705 NPC88868
Intermediate Similarity 0.7705 NPC25067
Intermediate Similarity 0.7705 NPC231251
Intermediate Similarity 0.7704 NPC317601
Intermediate Similarity 0.7704 NPC329427
Intermediate Similarity 0.7698 NPC263754
Intermediate Similarity 0.7698 NPC183154
Intermediate Similarity 0.7692 NPC170239
Intermediate Similarity 0.7692 NPC275125
Intermediate Similarity 0.7692 NPC279379
Intermediate Similarity 0.7692 NPC97937
Intermediate Similarity 0.7692 NPC315807
Intermediate Similarity 0.7692 NPC472518
Intermediate Similarity 0.7692 NPC473927
Intermediate Similarity 0.7687 NPC474617
Intermediate Similarity 0.7687 NPC477691
Intermediate Similarity 0.7686 NPC291837
Intermediate Similarity 0.7681 NPC474521
Intermediate Similarity 0.7681 NPC474530
Intermediate Similarity 0.7681 NPC474540
Intermediate Similarity 0.7681 NPC476171
Intermediate Similarity 0.7676 NPC292256
Intermediate Similarity 0.7669 NPC38017
Intermediate Similarity 0.7669 NPC23012
Intermediate Similarity 0.7669 NPC474636
Intermediate Similarity 0.7669 NPC47288
Intermediate Similarity 0.7669 NPC199204
Intermediate Similarity 0.7669 NPC474616
Intermediate Similarity 0.7664 NPC161856
Intermediate Similarity 0.7664 NPC281169
Intermediate Similarity 0.7664 NPC291119
Intermediate Similarity 0.7664 NPC51087
Intermediate Similarity 0.7661 NPC141003
Intermediate Similarity 0.7661 NPC35344
Intermediate Similarity 0.7656 NPC474131
Intermediate Similarity 0.7656 NPC473290
Intermediate Similarity 0.7656 NPC232295
Intermediate Similarity 0.7656 NPC471504
Intermediate Similarity 0.7652 NPC474632
Intermediate Similarity 0.7647 NPC238696
Intermediate Similarity 0.7647 NPC272029
Intermediate Similarity 0.7642 NPC275627
Intermediate Similarity 0.7642 NPC245552
Intermediate Similarity 0.7638 NPC283616
Intermediate Similarity 0.7634 NPC147896
Intermediate Similarity 0.7634 NPC78446
Intermediate Similarity 0.7634 NPC276962
Intermediate Similarity 0.7634 NPC190086
Intermediate Similarity 0.7634 NPC201667
Intermediate Similarity 0.7634 NPC111347
Intermediate Similarity 0.7634 NPC73413
Intermediate Similarity 0.7626 NPC270256
Intermediate Similarity 0.7623 NPC273837
Intermediate Similarity 0.7623 NPC259554
Intermediate Similarity 0.7622 NPC475896
Intermediate Similarity 0.7619 NPC477690
Intermediate Similarity 0.7615 NPC204535
Intermediate Similarity 0.7615 NPC248429
Intermediate Similarity 0.7615 NPC152946
Intermediate Similarity 0.7615 NPC46586
Intermediate Similarity 0.7615 NPC96286
Intermediate Similarity 0.7612 NPC168710
Intermediate Similarity 0.7609 NPC167517
Intermediate Similarity 0.7606 NPC474599
Intermediate Similarity 0.7603 NPC233320
Intermediate Similarity 0.7597 NPC267064
Intermediate Similarity 0.7597 NPC96423
Intermediate Similarity 0.7594 NPC473221
Intermediate Similarity 0.7594 NPC98745
Intermediate Similarity 0.7594 NPC53781
Intermediate Similarity 0.7594 NPC45537
Intermediate Similarity 0.7589 NPC149780
Intermediate Similarity 0.7586 NPC113790
Intermediate Similarity 0.7586 NPC95526
Intermediate Similarity 0.7583 NPC473393
Intermediate Similarity 0.7583 NPC475269
Intermediate Similarity 0.7581 NPC26615
Intermediate Similarity 0.7581 NPC199462
Intermediate Similarity 0.7576 NPC105031
Intermediate Similarity 0.7576 NPC471827
Intermediate Similarity 0.7576 NPC471828
Intermediate Similarity 0.7576 NPC105718
Intermediate Similarity 0.7576 NPC252962

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  258.09
ALogP  0.4796
MLogP  2.67
XLogP  3.916
HDA  2
HBD  0
Rotatable Bonds  7
TPSA  52.6
RO5 Violation  0