Drug Information

Drug ID:  NPD1609
Drug Name:  
Molecular Formula:  C15H14O3
Canonical SMILES:  O=C1C2=C(OC(CC2)(C)C)c2c(C1=O)cccc2
Standard InCHI:  InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
Standard InCHIKey:  QZPQTZZNNJUOLS-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1609

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 NPC212415
High Similarity 0.9439 NPC196075
High Similarity 0.9259 NPC477411
High Similarity 0.9167 NPC13784
High Similarity 0.9091 NPC226093
High Similarity 0.9 NPC228936
High Similarity 0.8981 NPC291799
High Similarity 0.8919 NPC135730
High Similarity 0.8868 NPC209632
High Similarity 0.8796 NPC192577
High Similarity 0.8774 NPC114594
High Similarity 0.8696 NPC232958
High Similarity 0.8624 NPC269023
High Similarity 0.8624 NPC99846
High Similarity 0.8621 NPC144547
High Similarity 0.8611 NPC37622
High Similarity 0.8611 NPC30594
High Similarity 0.8534 NPC289432
High Similarity 0.8534 NPC988
High Similarity 0.8532 NPC470391
Intermediate Similarity 0.8496 NPC474095
Intermediate Similarity 0.8468 NPC474157
Intermediate Similarity 0.8468 NPC210089
Intermediate Similarity 0.8376 NPC238861
Intermediate Similarity 0.8376 NPC77000
Intermediate Similarity 0.8333 NPC474408
Intermediate Similarity 0.8333 NPC60679
Intermediate Similarity 0.8333 NPC470764
Intermediate Similarity 0.8319 NPC272524
Intermediate Similarity 0.8304 NPC137315
Intermediate Similarity 0.8288 NPC83628
Intermediate Similarity 0.8288 NPC265407
Intermediate Similarity 0.8246 NPC308744
Intermediate Similarity 0.8174 NPC474685
Intermediate Similarity 0.8174 NPC210092
Intermediate Similarity 0.8148 NPC112552
Intermediate Similarity 0.8142 NPC474057
Intermediate Similarity 0.8142 NPC243355
Intermediate Similarity 0.8108 NPC119271
Intermediate Similarity 0.8103 NPC149691
Intermediate Similarity 0.8099 NPC51079
Intermediate Similarity 0.8091 NPC31786
Intermediate Similarity 0.8073 NPC45613
Intermediate Similarity 0.807 NPC79496
Intermediate Similarity 0.8067 NPC476225
Intermediate Similarity 0.8056 NPC325497
Intermediate Similarity 0.8049 NPC51292
Intermediate Similarity 0.8049 NPC177925
Intermediate Similarity 0.8036 NPC56493
Intermediate Similarity 0.8033 NPC295664
Intermediate Similarity 0.8019 NPC5472
Intermediate Similarity 0.8017 NPC65627
Intermediate Similarity 0.8 NPC89886
Intermediate Similarity 0.8 NPC274443
Intermediate Similarity 0.7982 NPC167504
Intermediate Similarity 0.7965 NPC10251
Intermediate Similarity 0.7965 NPC17417
Intermediate Similarity 0.7949 NPC471616
Intermediate Similarity 0.7931 NPC241851
Intermediate Similarity 0.7931 NPC307651
Intermediate Similarity 0.7923 NPC301341
Intermediate Similarity 0.7923 NPC284184
Intermediate Similarity 0.7913 NPC82899
Intermediate Similarity 0.7913 NPC23332
Intermediate Similarity 0.7913 NPC270699
Intermediate Similarity 0.7909 NPC244427
Intermediate Similarity 0.7909 NPC222390
Intermediate Similarity 0.7895 NPC214067
Intermediate Similarity 0.7895 NPC93084
Intermediate Similarity 0.7895 NPC174099
Intermediate Similarity 0.7895 NPC251854
Intermediate Similarity 0.7895 NPC196246
Intermediate Similarity 0.7876 NPC203732
Intermediate Similarity 0.787 NPC276775
Intermediate Similarity 0.787 NPC92754
Intermediate Similarity 0.787 NPC249912
Intermediate Similarity 0.7857 NPC471832
Intermediate Similarity 0.7857 NPC172483
Intermediate Similarity 0.785 NPC130398
Intermediate Similarity 0.7845 NPC128368
Intermediate Similarity 0.7838 NPC301943
Intermediate Similarity 0.7838 NPC474365
Intermediate Similarity 0.7833 NPC204784
Intermediate Similarity 0.7826 NPC183648
Intermediate Similarity 0.7826 NPC305912
Intermediate Similarity 0.7826 NPC260818
Intermediate Similarity 0.7826 NPC1082
Intermediate Similarity 0.7818 NPC42211
Intermediate Similarity 0.7818 NPC70624
Intermediate Similarity 0.7815 NPC469954
Intermediate Similarity 0.7815 NPC228318
Intermediate Similarity 0.7812 NPC477407
Intermediate Similarity 0.7807 NPC85493
Intermediate Similarity 0.7805 NPC182646
Intermediate Similarity 0.7798 NPC78701
Intermediate Similarity 0.7798 NPC225060
Intermediate Similarity 0.7798 NPC35448
Intermediate Similarity 0.7797 NPC100353
Intermediate Similarity 0.7778 NPC326664
Intermediate Similarity 0.7769 NPC105709
Intermediate Similarity 0.7759 NPC321852
Intermediate Similarity 0.7752 NPC171968
Intermediate Similarity 0.7742 NPC246166
Intermediate Similarity 0.7742 NPC107846
Intermediate Similarity 0.7739 NPC273837
Intermediate Similarity 0.7734 NPC477412
Intermediate Similarity 0.7731 NPC190298
Intermediate Similarity 0.7727 NPC203925
Intermediate Similarity 0.7727 NPC118343
Intermediate Similarity 0.7727 NPC146351
Intermediate Similarity 0.7724 NPC46634
Intermediate Similarity 0.7724 NPC223351
Intermediate Similarity 0.7712 NPC306740
Intermediate Similarity 0.7706 NPC156021
Intermediate Similarity 0.7705 NPC472981
Intermediate Similarity 0.7698 NPC428300
Intermediate Similarity 0.7692 NPC474176
Intermediate Similarity 0.7692 NPC161611
Intermediate Similarity 0.768 NPC236405
Intermediate Similarity 0.7674 NPC183103
Intermediate Similarity 0.7674 NPC477406
Intermediate Similarity 0.7661 NPC228739
Intermediate Similarity 0.7652 NPC474364
Intermediate Similarity 0.7652 NPC469636
Intermediate Similarity 0.7647 NPC260886
Intermediate Similarity 0.7636 NPC229242
Intermediate Similarity 0.7627 NPC153053
Intermediate Similarity 0.7627 NPC67377
Intermediate Similarity 0.7627 NPC196673
Intermediate Similarity 0.7619 NPC474737
Intermediate Similarity 0.7619 NPC157778
Intermediate Similarity 0.7619 NPC81135
Intermediate Similarity 0.7615 NPC310662
Intermediate Similarity 0.7615 NPC59459
Intermediate Similarity 0.7615 NPC263817
Intermediate Similarity 0.7607 NPC292834
Intermediate Similarity 0.7603 NPC32298
Intermediate Similarity 0.76 NPC30216
Intermediate Similarity 0.7597 NPC239134
Intermediate Similarity 0.7597 NPC279596
Intermediate Similarity 0.7589 NPC25458
Intermediate Similarity 0.7589 NPC188895
Intermediate Similarity 0.7583 NPC470860
Intermediate Similarity 0.7578 NPC57552
Intermediate Similarity 0.7565 NPC211439
Intermediate Similarity 0.7563 NPC274839
Intermediate Similarity 0.7559 NPC115797
Intermediate Similarity 0.7559 NPC51448
Intermediate Similarity 0.7559 NPC45537
Intermediate Similarity 0.7544 NPC134120
Intermediate Similarity 0.7541 NPC35744
Intermediate Similarity 0.7541 NPC54243
Intermediate Similarity 0.7541 NPC201284
Intermediate Similarity 0.754 NPC121272
Intermediate Similarity 0.7537 NPC470407
Intermediate Similarity 0.7524 NPC43945
Intermediate Similarity 0.7522 NPC247976
Intermediate Similarity 0.7522 NPC255676
Intermediate Similarity 0.7521 NPC268930
Intermediate Similarity 0.752 NPC85511
Intermediate Similarity 0.752 NPC325740
Intermediate Similarity 0.7519 NPC118366
Intermediate Similarity 0.75 NPC120545
Intermediate Similarity 0.75 NPC269923
Intermediate Similarity 0.75 NPC167323
Intermediate Similarity 0.75 NPC62138
Intermediate Similarity 0.75 NPC95485
Intermediate Similarity 0.75 NPC88065
Intermediate Similarity 0.75 NPC40178
Intermediate Similarity 0.75 NPC89504
Intermediate Similarity 0.7481 NPC470406
Intermediate Similarity 0.748 NPC473243
Intermediate Similarity 0.748 NPC237868
Intermediate Similarity 0.7479 NPC279916
Intermediate Similarity 0.7477 NPC173413
Intermediate Similarity 0.7463 NPC173980
Intermediate Similarity 0.7462 NPC164295
Intermediate Similarity 0.7462 NPC205360
Intermediate Similarity 0.7459 NPC171023
Intermediate Similarity 0.7458 NPC57879
Intermediate Similarity 0.7455 NPC12695
Intermediate Similarity 0.7444 NPC232996
Intermediate Similarity 0.7442 NPC262819
Intermediate Similarity 0.744 NPC217756
Intermediate Similarity 0.744 NPC91478
Intermediate Similarity 0.744 NPC139171
Intermediate Similarity 0.7438 NPC158157
Intermediate Similarity 0.7436 NPC95172
Intermediate Similarity 0.7434 NPC284477
Intermediate Similarity 0.7434 NPC304873
Intermediate Similarity 0.7422 NPC37512
Intermediate Similarity 0.7419 NPC225245
Intermediate Similarity 0.7419 NPC50872
Intermediate Similarity 0.7417 NPC186933
Intermediate Similarity 0.7417 NPC93181
Intermediate Similarity 0.7417 NPC252004
Intermediate Similarity 0.7414 NPC470007
Intermediate Similarity 0.7414 NPC47536
Intermediate Similarity 0.7414 NPC226699
Intermediate Similarity 0.7411 NPC217621

Drug Structure

External Identifiers

TTD   DCL000494
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   3885
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  242.09
ALogP  0.0558
MLogP  2.78
XLogP  3.196
HDA  3
HBD  0
Rotatable Bonds  2
TPSA  43.37
RO5 Violation  0