Drug Information

Drug ID:  NPD1507
Drug Name:  
Molecular Formula:  C15H10O
Canonical SMILES:  O=C1C(=C1c1ccccc1)c1ccccc1
Standard InCHI:  InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H
Standard InCHIKey:  HCIBTBXNLVOFER-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1507

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 NPC95868
High Similarity 0.9351 NPC273033
High Similarity 0.9351 NPC12936
High Similarity 0.9221 NPC71664
High Similarity 0.9114 NPC273758
High Similarity 0.9091 NPC151405
High Similarity 0.9091 NPC139901
High Similarity 0.9079 NPC9796
High Similarity 0.8846 NPC272260
High Similarity 0.8831 NPC245966
High Similarity 0.88 NPC285679
High Similarity 0.8734 NPC190567
High Similarity 0.8718 NPC2785
High Similarity 0.8718 NPC36342
High Similarity 0.8718 NPC285470
High Similarity 0.8675 NPC69057
High Similarity 0.8667 NPC74458
High Similarity 0.8625 NPC145053
High Similarity 0.8608 NPC300205
High Similarity 0.8571 NPC267262
High Similarity 0.85 NPC17408
High Similarity 0.85 NPC477703
High Similarity 0.85 NPC285716
High Similarity 0.85 NPC164086
Intermediate Similarity 0.8471 NPC418308
Intermediate Similarity 0.8471 NPC113307
Intermediate Similarity 0.8434 NPC123476
Intermediate Similarity 0.8372 NPC277277
Intermediate Similarity 0.8372 NPC19256
Intermediate Similarity 0.8354 NPC179726
Intermediate Similarity 0.825 NPC103488
Intermediate Similarity 0.8205 NPC208075
Intermediate Similarity 0.8193 NPC215008
Intermediate Similarity 0.8171 NPC73978
Intermediate Similarity 0.8158 NPC98880
Intermediate Similarity 0.814 NPC157778
Intermediate Similarity 0.8118 NPC160339
Intermediate Similarity 0.8118 NPC307
Intermediate Similarity 0.809 NPC289883
Intermediate Similarity 0.8077 NPC271437
Intermediate Similarity 0.8052 NPC95289
Intermediate Similarity 0.8046 NPC325709
Intermediate Similarity 0.8026 NPC311343
Intermediate Similarity 0.8025 NPC76455
Intermediate Similarity 0.8025 NPC137847
Intermediate Similarity 0.8023 NPC43945
Intermediate Similarity 0.8 NPC472880
Intermediate Similarity 0.7978 NPC59677
Intermediate Similarity 0.7976 NPC197581
Intermediate Similarity 0.7976 NPC324624
Intermediate Similarity 0.7955 NPC173413
Intermediate Similarity 0.7901 NPC298023
Intermediate Similarity 0.7901 NPC329318
Intermediate Similarity 0.7889 NPC34243
Intermediate Similarity 0.7865 NPC133461
Intermediate Similarity 0.7865 NPC284475
Intermediate Similarity 0.7865 NPC103346
Intermediate Similarity 0.7841 NPC231591
Intermediate Similarity 0.7791 NPC252067
Intermediate Similarity 0.7778 NPC155232
Intermediate Similarity 0.7778 NPC323420
Intermediate Similarity 0.7778 NPC188844
Intermediate Similarity 0.7778 NPC153885
Intermediate Similarity 0.7778 NPC78500
Intermediate Similarity 0.7778 NPC1682
Intermediate Similarity 0.7765 NPC39600
Intermediate Similarity 0.7753 NPC67585
Intermediate Similarity 0.7753 NPC110420
Intermediate Similarity 0.7753 NPC303967
Intermediate Similarity 0.7742 NPC49994
Intermediate Similarity 0.7738 NPC100039
Intermediate Similarity 0.7727 NPC477693
Intermediate Similarity 0.7727 NPC477704
Intermediate Similarity 0.7717 NPC12695
Intermediate Similarity 0.7717 NPC219573
Intermediate Similarity 0.7717 NPC185208
Intermediate Similarity 0.7703 NPC246588
Intermediate Similarity 0.7692 NPC238219
Intermediate Similarity 0.7667 NPC141607
Intermediate Similarity 0.7667 NPC187725
Intermediate Similarity 0.764 NPC298115
Intermediate Similarity 0.7634 NPC103048
Intermediate Similarity 0.7634 NPC239185
Intermediate Similarity 0.7619 NPC157055
Intermediate Similarity 0.7609 NPC260233
Intermediate Similarity 0.7586 NPC95965
Intermediate Similarity 0.7579 NPC472879
Intermediate Similarity 0.7553 NPC134882
Intermediate Similarity 0.7528 NPC153308
Intermediate Similarity 0.7528 NPC473345
Intermediate Similarity 0.75 NPC113670
Intermediate Similarity 0.75 NPC164526
Intermediate Similarity 0.75 NPC326200
Intermediate Similarity 0.7473 NPC476484
Intermediate Similarity 0.7468 NPC169222
Intermediate Similarity 0.7468 NPC235059
Intermediate Similarity 0.7468 NPC16190
Intermediate Similarity 0.7447 NPC265220
Intermediate Similarity 0.7447 NPC289201
Intermediate Similarity 0.7444 NPC9822
Intermediate Similarity 0.7442 NPC230068
Intermediate Similarity 0.7432 NPC36357
Intermediate Similarity 0.7432 NPC114327
Intermediate Similarity 0.7423 NPC329556
Intermediate Similarity 0.7419 NPC206764
Intermediate Similarity 0.7416 NPC194326
Intermediate Similarity 0.7412 NPC127343
Intermediate Similarity 0.7396 NPC476993
Intermediate Similarity 0.7396 NPC109514
Intermediate Similarity 0.7391 NPC77273
Intermediate Similarity 0.7368 NPC75724
Intermediate Similarity 0.7368 NPC22786
Intermediate Similarity 0.7363 NPC58872
Intermediate Similarity 0.7356 NPC285773
Intermediate Similarity 0.7356 NPC44830
Intermediate Similarity 0.7356 NPC149263
Intermediate Similarity 0.7356 NPC288903
Intermediate Similarity 0.7347 NPC249067
Intermediate Similarity 0.7312 NPC246757
Intermediate Similarity 0.7312 NPC261181
Intermediate Similarity 0.7312 NPC291070
Intermediate Similarity 0.7292 NPC476042
Intermediate Similarity 0.7283 NPC110704
Intermediate Similarity 0.7273 NPC134120
Intermediate Similarity 0.7273 NPC167336
Intermediate Similarity 0.7263 NPC270654
Intermediate Similarity 0.7263 NPC240042
Intermediate Similarity 0.7245 NPC472691
Intermediate Similarity 0.7245 NPC471829
Intermediate Similarity 0.7245 NPC475939
Intermediate Similarity 0.7245 NPC474866
Intermediate Similarity 0.7234 NPC172925
Intermediate Similarity 0.7222 NPC322387
Intermediate Similarity 0.7215 NPC267443
Intermediate Similarity 0.7191 NPC294134
Intermediate Similarity 0.7188 NPC317280
Intermediate Similarity 0.7188 NPC145052
Intermediate Similarity 0.7188 NPC329387
Intermediate Similarity 0.7179 NPC291066
Intermediate Similarity 0.7162 NPC198841
Intermediate Similarity 0.7143 NPC200745
Intermediate Similarity 0.7143 NPC71009
Intermediate Similarity 0.7143 NPC329064
Intermediate Similarity 0.7129 NPC203732
Intermediate Similarity 0.7113 NPC54647
Intermediate Similarity 0.7097 NPC125226
Intermediate Similarity 0.7083 NPC156021
Intermediate Similarity 0.7073 NPC155429
Intermediate Similarity 0.7071 NPC247976
Intermediate Similarity 0.7071 NPC274443
Intermediate Similarity 0.7071 NPC255676
Intermediate Similarity 0.7067 NPC212114
Intermediate Similarity 0.7067 NPC120441
Intermediate Similarity 0.7067 NPC65873
Intermediate Similarity 0.7067 NPC300345
Intermediate Similarity 0.7041 NPC42211
Intermediate Similarity 0.7041 NPC112552
Intermediate Similarity 0.7037 NPC246822
Intermediate Similarity 0.7037 NPC139416
Intermediate Similarity 0.7037 NPC213570
Intermediate Similarity 0.7037 NPC473206
Intermediate Similarity 0.703 NPC472700
Intermediate Similarity 0.703 NPC472699
Intermediate Similarity 0.7027 NPC149436
Intermediate Similarity 0.7024 NPC206800
Intermediate Similarity 0.7024 NPC32203
Intermediate Similarity 0.7013 NPC248705
Intermediate Similarity 0.7013 NPC150196
Intermediate Similarity 0.7013 NPC54368
Intermediate Similarity 0.7013 NPC135924
Intermediate Similarity 0.7013 NPC210849
Intermediate Similarity 0.7011 NPC184030
Intermediate Similarity 0.7011 NPC164449
Intermediate Similarity 0.7 NPC329282
Intermediate Similarity 0.7 NPC475710
Intermediate Similarity 0.7 NPC269644
Remote Similarity 0.6989 NPC86670
Remote Similarity 0.6989 NPC84288
Remote Similarity 0.6989 NPC70940
Remote Similarity 0.6989 NPC274455
Remote Similarity 0.697 NPC25458
Remote Similarity 0.697 NPC244427
Remote Similarity 0.697 NPC222390
Remote Similarity 0.6966 NPC243289
Remote Similarity 0.6966 NPC208183
Remote Similarity 0.6961 NPC472701
Remote Similarity 0.6961 NPC472695
Remote Similarity 0.6961 NPC470007
Remote Similarity 0.6961 NPC141523
Remote Similarity 0.6961 NPC472696
Remote Similarity 0.6961 NPC472683
Remote Similarity 0.6951 NPC263385
Remote Similarity 0.6951 NPC72670
Remote Similarity 0.6951 NPC251490
Remote Similarity 0.6939 NPC118343
Remote Similarity 0.6933 NPC269586
Remote Similarity 0.6932 NPC71795
Remote Similarity 0.6931 NPC474910
Remote Similarity 0.6931 NPC172483
Remote Similarity 0.6931 NPC105899

Drug Structure

External Identifiers

TTD   DIB008342
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   65057
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  206.07
ALogP  -0.1872
MLogP  3
XLogP  6.584
HDA  1
HBD  0
Rotatable Bonds  2
TPSA  17.07
RO5 Violation  1