Drug Information

Drug ID:  NPD1508
Drug Name:  Phenindione
Molecular Formula:  C15H10O2
Canonical SMILES:  O=C1C(c2ccccc2)C(=O)c2c1cccc2
Standard InCHI:  InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
Standard InCHIKey:  NFBAXHOPROOJAW-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1508

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 0.9425 NPC113307
High Similarity 0.8953 NPC273758
High Similarity 0.8889 NPC19256
High Similarity 0.8736 NPC215008
High Similarity 0.8721 NPC273033
High Similarity 0.8721 NPC12936
High Similarity 0.8667 NPC267262
High Similarity 0.8667 NPC157778
High Similarity 0.8646 NPC472879
High Similarity 0.8605 NPC71664
High Similarity 0.8602 NPC289883
High Similarity 0.8571 NPC418308
High Similarity 0.8556 NPC43945
Intermediate Similarity 0.8495 NPC59677
Intermediate Similarity 0.8495 NPC188844
Intermediate Similarity 0.8495 NPC1682
Intermediate Similarity 0.8478 NPC277277
Intermediate Similarity 0.8478 NPC173413
Intermediate Similarity 0.8438 NPC49994
Intermediate Similarity 0.8404 NPC238219
Intermediate Similarity 0.8391 NPC190567
Intermediate Similarity 0.8391 NPC164086
Intermediate Similarity 0.8387 NPC133461
Intermediate Similarity 0.8387 NPC284475
Intermediate Similarity 0.8352 NPC69057
Intermediate Similarity 0.8298 NPC155232
Intermediate Similarity 0.8298 NPC153885
Intermediate Similarity 0.8276 NPC300205
Intermediate Similarity 0.8256 NPC245966
Intermediate Similarity 0.8247 NPC134882
Intermediate Similarity 0.8242 NPC160339
Intermediate Similarity 0.8242 NPC307
Intermediate Similarity 0.8218 NPC472700
Intermediate Similarity 0.8218 NPC472699
Intermediate Similarity 0.8182 NPC95868
Intermediate Similarity 0.8172 NPC325709
Intermediate Similarity 0.8161 NPC285470
Intermediate Similarity 0.8161 NPC2785
Intermediate Similarity 0.8161 NPC36342
Intermediate Similarity 0.8144 NPC265220
Intermediate Similarity 0.8144 NPC239185
Intermediate Similarity 0.8137 NPC472696
Intermediate Similarity 0.8137 NPC472683
Intermediate Similarity 0.8137 NPC472695
Intermediate Similarity 0.8137 NPC472701
Intermediate Similarity 0.8125 NPC260233
Intermediate Similarity 0.8125 NPC472880
Intermediate Similarity 0.8105 NPC323420
Intermediate Similarity 0.809 NPC145053
Intermediate Similarity 0.8081 NPC109514
Intermediate Similarity 0.8081 NPC476993
Intermediate Similarity 0.8068 NPC139901
Intermediate Similarity 0.8068 NPC272260
Intermediate Similarity 0.8068 NPC151405
Intermediate Similarity 0.8061 NPC75724
Intermediate Similarity 0.8041 NPC219573
Intermediate Similarity 0.8041 NPC185208
Intermediate Similarity 0.8 NPC103346
Intermediate Similarity 0.7978 NPC477703
Intermediate Similarity 0.7912 NPC39600
Intermediate Similarity 0.7889 NPC73978
Intermediate Similarity 0.7841 NPC179726
Intermediate Similarity 0.7841 NPC9796
Intermediate Similarity 0.7822 NPC320891
Intermediate Similarity 0.7778 NPC285716
Intermediate Similarity 0.7778 NPC17408
Intermediate Similarity 0.7745 NPC475939
Intermediate Similarity 0.7745 NPC474866
Intermediate Similarity 0.7745 NPC471829
Intermediate Similarity 0.7745 NPC472691
Intermediate Similarity 0.7742 NPC252067
Intermediate Similarity 0.7684 NPC153308
Intermediate Similarity 0.767 NPC329282
Intermediate Similarity 0.76 NPC156021
Intermediate Similarity 0.7596 NPC134120
Intermediate Similarity 0.7586 NPC285679
Intermediate Similarity 0.7573 NPC247976
Intermediate Similarity 0.7573 NPC274443
Intermediate Similarity 0.7573 NPC329556
Intermediate Similarity 0.7556 NPC103488
Intermediate Similarity 0.7553 NPC123476
Intermediate Similarity 0.7549 NPC112552
Intermediate Similarity 0.7547 NPC470252
Intermediate Similarity 0.7527 NPC197581
Intermediate Similarity 0.7527 NPC324624
Intermediate Similarity 0.7526 NPC67585
Intermediate Similarity 0.7526 NPC58872
Intermediate Similarity 0.7526 NPC303967
Intermediate Similarity 0.7526 NPC110420
Intermediate Similarity 0.7524 NPC37914
Intermediate Similarity 0.7524 NPC83409
Intermediate Similarity 0.7524 NPC185763
Intermediate Similarity 0.7476 NPC244427
Intermediate Similarity 0.7476 NPC222390
Intermediate Similarity 0.7474 NPC164526
Intermediate Similarity 0.7471 NPC74458
Intermediate Similarity 0.7453 NPC203732
Intermediate Similarity 0.7429 NPC474910
Intermediate Similarity 0.7429 NPC172483
Intermediate Similarity 0.7423 NPC298115
Intermediate Similarity 0.7404 NPC255676
Intermediate Similarity 0.7358 NPC100767
Intermediate Similarity 0.7356 NPC263385
Intermediate Similarity 0.7356 NPC95289
Intermediate Similarity 0.7345 NPC472697
Intermediate Similarity 0.7345 NPC472698
Intermediate Similarity 0.7333 NPC78500
Intermediate Similarity 0.7312 NPC100039
Intermediate Similarity 0.729 NPC112903
Intermediate Similarity 0.7273 NPC470253
Intermediate Similarity 0.7273 NPC475023
Intermediate Similarity 0.7273 NPC475059
Intermediate Similarity 0.7255 NPC240042
Intermediate Similarity 0.7253 NPC298023
Intermediate Similarity 0.7248 NPC265513
Intermediate Similarity 0.7241 NPC98880
Intermediate Similarity 0.7222 NPC192577
Intermediate Similarity 0.7207 NPC326664
Intermediate Similarity 0.7207 NPC196673
Intermediate Similarity 0.72 NPC475057
Intermediate Similarity 0.7191 NPC1901
Intermediate Similarity 0.7182 NPC218855
Intermediate Similarity 0.7182 NPC186128
Intermediate Similarity 0.7182 NPC280789
Intermediate Similarity 0.7182 NPC292834
Intermediate Similarity 0.7174 NPC76455
Intermediate Similarity 0.7174 NPC137847
Intermediate Similarity 0.717 NPC249067
Intermediate Similarity 0.7157 NPC12695
Intermediate Similarity 0.7143 NPC473345
Intermediate Similarity 0.7143 NPC477693
Intermediate Similarity 0.7143 NPC274839
Intermediate Similarity 0.7143 NPC477704
Intermediate Similarity 0.7143 NPC476357
Intermediate Similarity 0.713 NPC211439
Intermediate Similarity 0.713 NPC470391
Intermediate Similarity 0.7129 NPC261181
Intermediate Similarity 0.7129 NPC34243
Intermediate Similarity 0.7126 NPC311343
Intermediate Similarity 0.7117 NPC471481
Intermediate Similarity 0.7117 NPC93287
Intermediate Similarity 0.7117 NPC143768
Intermediate Similarity 0.7111 NPC208075
Intermediate Similarity 0.7103 NPC167336
Intermediate Similarity 0.71 NPC110704
Intermediate Similarity 0.7091 NPC474057
Intermediate Similarity 0.7091 NPC137315
Intermediate Similarity 0.7071 NPC231591
Intermediate Similarity 0.7065 NPC329318
Intermediate Similarity 0.7064 NPC318327
Intermediate Similarity 0.7059 NPC172925
Intermediate Similarity 0.7054 NPC241851
Intermediate Similarity 0.7054 NPC234637
Intermediate Similarity 0.7054 NPC67377
Intermediate Similarity 0.7054 NPC471721
Intermediate Similarity 0.7054 NPC130591
Intermediate Similarity 0.7048 NPC473325
Intermediate Similarity 0.7043 NPC318173
Intermediate Similarity 0.7027 NPC66208
Intermediate Similarity 0.7021 NPC157055
Intermediate Similarity 0.7019 NPC317280
Intermediate Similarity 0.7019 NPC329387
Intermediate Similarity 0.7019 NPC145052
Intermediate Similarity 0.7019 NPC229242
Intermediate Similarity 0.7018 NPC158157
Intermediate Similarity 0.7009 NPC114594
Intermediate Similarity 0.7 NPC271437
Remote Similarity 0.6991 NPC215419
Remote Similarity 0.6991 NPC470764
Remote Similarity 0.6981 NPC45613
Remote Similarity 0.6979 NPC149263
Remote Similarity 0.6961 NPC291070
Remote Similarity 0.6961 NPC246757
Remote Similarity 0.6957 NPC61651
Remote Similarity 0.6952 NPC476042
Remote Similarity 0.6944 NPC209632
Remote Similarity 0.6944 NPC105899
Remote Similarity 0.6942 NPC470648
Remote Similarity 0.6942 NPC48992
Remote Similarity 0.6937 NPC291799
Remote Similarity 0.6937 NPC210089
Remote Similarity 0.6931 NPC141607
Remote Similarity 0.6931 NPC187725
Remote Similarity 0.6931 NPC476484
Remote Similarity 0.6931 NPC125226
Remote Similarity 0.693 NPC260886
Remote Similarity 0.693 NPC62138
Remote Similarity 0.6923 NPC251579
Remote Similarity 0.6923 NPC289201
Remote Similarity 0.6923 NPC232958
Remote Similarity 0.6923 NPC103048
Remote Similarity 0.6923 NPC133135
Remote Similarity 0.6909 NPC265407
Remote Similarity 0.6909 NPC83628
Remote Similarity 0.6903 NPC477411
Remote Similarity 0.6887 NPC282895
Remote Similarity 0.6887 NPC42211
Remote Similarity 0.6885 NPC472678
Remote Similarity 0.6881 NPC30594
Remote Similarity 0.6881 NPC85560

Drug Structure

External Identifiers

TTD   DAP000769
DrugBank   DB00498
ChEMBL   CHEMBL711
IUPHAR/BPS   6838
PharmaGKB   PA164784031
KEGG Drug  
PubChem CID   4760
ChEBI   8066
CAS Number  83-12-5

Drug Properties

Molecular Weight  222.07
ALogP  -0.6723
MLogP  2.89
XLogP  4.624
HDA  2
HBD  0
Rotatable Bonds  1
TPSA  34.14
RO5 Violation  0