Drug Information

Drug ID:  NPD942
Drug Name:  Benzophenone
Molecular Formula:  C13H10O
Canonical SMILES:  O=C(c1ccccc1)c1ccccc1
Standard InCHI:  InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
Standard InCHIKey:  RWCCWEUUXYIKHB-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD942

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 NPC273033
High Similarity 1.0 NPC12936
High Similarity 0.9867 NPC71664
High Similarity 0.974 NPC273758
High Similarity 0.9467 NPC245966
High Similarity 0.9351 NPC190567
High Similarity 0.9351 NPC95868
High Similarity 0.9342 NPC2785
High Similarity 0.9342 NPC36342
High Similarity 0.9342 NPC285470
High Similarity 0.9259 NPC69057
High Similarity 0.9231 NPC145053
High Similarity 0.9221 NPC139901
High Similarity 0.9221 NPC300205
High Similarity 0.9221 NPC151405
High Similarity 0.9146 NPC267262
High Similarity 0.9103 NPC164086
High Similarity 0.9036 NPC113307
High Similarity 0.9036 NPC418308
High Similarity 0.8961 NPC9796
High Similarity 0.8929 NPC277277
High Similarity 0.8929 NPC19256
High Similarity 0.8765 NPC215008
High Similarity 0.875 NPC73978
High Similarity 0.8734 NPC272260
High Similarity 0.869 NPC157778
High Similarity 0.8684 NPC285679
High Similarity 0.8675 NPC160339
High Similarity 0.8675 NPC307
High Similarity 0.8621 NPC289883
High Similarity 0.8588 NPC325709
High Similarity 0.8571 NPC43945
High Similarity 0.8553 NPC74458
High Similarity 0.8537 NPC197581
High Similarity 0.8537 NPC324624
High Similarity 0.8523 NPC472880
High Similarity 0.8506 NPC59677
Intermediate Similarity 0.8488 NPC173413
Intermediate Similarity 0.8481 NPC179726
Intermediate Similarity 0.8395 NPC17408
Intermediate Similarity 0.8395 NPC477703
Intermediate Similarity 0.8395 NPC285716
Intermediate Similarity 0.8391 NPC133461
Intermediate Similarity 0.8391 NPC284475
Intermediate Similarity 0.8391 NPC103346
Intermediate Similarity 0.8354 NPC78500
Intermediate Similarity 0.8333 NPC252067
Intermediate Similarity 0.8333 NPC123476
Intermediate Similarity 0.8313 NPC39600
Intermediate Similarity 0.8295 NPC188844
Intermediate Similarity 0.8295 NPC1682
Intermediate Similarity 0.8295 NPC323420
Intermediate Similarity 0.8295 NPC153885
Intermediate Similarity 0.8295 NPC155232
Intermediate Similarity 0.8293 NPC100039
Intermediate Similarity 0.8289 NPC98880
Intermediate Similarity 0.8242 NPC49994
Intermediate Similarity 0.8222 NPC219573
Intermediate Similarity 0.8222 NPC185208
Intermediate Similarity 0.8202 NPC238219
Intermediate Similarity 0.8182 NPC95289
Intermediate Similarity 0.8158 NPC311343
Intermediate Similarity 0.8148 NPC137847
Intermediate Similarity 0.8148 NPC103488
Intermediate Similarity 0.8148 NPC76455
Intermediate Similarity 0.8132 NPC239185
Intermediate Similarity 0.8111 NPC260233
Intermediate Similarity 0.8101 NPC208075
Intermediate Similarity 0.8065 NPC472879
Intermediate Similarity 0.8046 NPC473345
Intermediate Similarity 0.8046 NPC153308
Intermediate Similarity 0.8043 NPC134882
Intermediate Similarity 0.8025 NPC329318
Intermediate Similarity 0.7975 NPC271437
Intermediate Similarity 0.7935 NPC265220
Intermediate Similarity 0.7895 NPC329556
Intermediate Similarity 0.7882 NPC149263
Intermediate Similarity 0.7872 NPC109514
Intermediate Similarity 0.7872 NPC476993
Intermediate Similarity 0.7865 NPC303967
Intermediate Similarity 0.7865 NPC67585
Intermediate Similarity 0.7865 NPC110420
Intermediate Similarity 0.7865 NPC58872
Intermediate Similarity 0.7849 NPC75724
Intermediate Similarity 0.7826 NPC12695
Intermediate Similarity 0.7816 NPC164526
Intermediate Similarity 0.7812 NPC249067
Intermediate Similarity 0.7805 NPC298023
Intermediate Similarity 0.7802 NPC291070
Intermediate Similarity 0.7802 NPC34243
Intermediate Similarity 0.7802 NPC261181
Intermediate Similarity 0.7802 NPC246757
Intermediate Similarity 0.7778 NPC110704
Intermediate Similarity 0.7753 NPC231591
Intermediate Similarity 0.7742 NPC240042
Intermediate Similarity 0.7732 NPC134120
Intermediate Similarity 0.7732 NPC167336
Intermediate Similarity 0.7708 NPC474866
Intermediate Similarity 0.7708 NPC472691
Intermediate Similarity 0.7708 NPC471829
Intermediate Similarity 0.7708 NPC475939
Intermediate Similarity 0.764 NPC477693
Intermediate Similarity 0.764 NPC477704
Intermediate Similarity 0.7625 NPC326200
Intermediate Similarity 0.76 NPC246588
Intermediate Similarity 0.7595 NPC169222
Intermediate Similarity 0.7595 NPC235059
Intermediate Similarity 0.7595 NPC16190
Intermediate Similarity 0.7582 NPC187725
Intermediate Similarity 0.7582 NPC141607
Intermediate Similarity 0.7582 NPC476484
Intermediate Similarity 0.7576 NPC203732
Intermediate Similarity 0.7556 NPC298115
Intermediate Similarity 0.7553 NPC289201
Intermediate Similarity 0.7553 NPC156021
Intermediate Similarity 0.7553 NPC103048
Intermediate Similarity 0.7529 NPC157055
Intermediate Similarity 0.7528 NPC194326
Intermediate Similarity 0.7526 NPC247976
Intermediate Similarity 0.7526 NPC255676
Intermediate Similarity 0.7526 NPC274443
Intermediate Similarity 0.75 NPC77273
Intermediate Similarity 0.75 NPC112552
Intermediate Similarity 0.75 NPC42211
Intermediate Similarity 0.75 NPC95965
Intermediate Similarity 0.7475 NPC472700
Intermediate Similarity 0.7475 NPC472699
Intermediate Similarity 0.7449 NPC329282
Intermediate Similarity 0.7423 NPC222390
Intermediate Similarity 0.7423 NPC25458
Intermediate Similarity 0.7423 NPC244427
Intermediate Similarity 0.7416 NPC318107
Intermediate Similarity 0.7403 NPC113670
Intermediate Similarity 0.74 NPC472695
Intermediate Similarity 0.74 NPC141523
Intermediate Similarity 0.74 NPC472696
Intermediate Similarity 0.74 NPC472683
Intermediate Similarity 0.74 NPC472701
Intermediate Similarity 0.7396 NPC118343
Intermediate Similarity 0.7374 NPC172483
Intermediate Similarity 0.7374 NPC105899
Intermediate Similarity 0.7374 NPC474910
Intermediate Similarity 0.7363 NPC9822
Intermediate Similarity 0.7356 NPC230068
Intermediate Similarity 0.734 NPC206764
Intermediate Similarity 0.7333 NPC36357
Intermediate Similarity 0.7333 NPC114327
Intermediate Similarity 0.7327 NPC470252
Intermediate Similarity 0.7327 NPC17525
Intermediate Similarity 0.7326 NPC127343
Intermediate Similarity 0.73 NPC100767
Intermediate Similarity 0.7292 NPC145052
Intermediate Similarity 0.7292 NPC317280
Intermediate Similarity 0.7292 NPC329387
Intermediate Similarity 0.7282 NPC186128
Intermediate Similarity 0.7273 NPC22786
Intermediate Similarity 0.7273 NPC285773
Intermediate Similarity 0.7273 NPC288903
Intermediate Similarity 0.7273 NPC44830
Intermediate Similarity 0.7228 NPC211439
Intermediate Similarity 0.7216 NPC476042
Intermediate Similarity 0.7216 NPC217621
Intermediate Similarity 0.7188 NPC270654
Intermediate Similarity 0.7184 NPC265513
Intermediate Similarity 0.7184 NPC116842
Intermediate Similarity 0.7158 NPC130398
Intermediate Similarity 0.7158 NPC172925
Intermediate Similarity 0.7157 NPC318327
Intermediate Similarity 0.7157 NPC192577
Intermediate Similarity 0.7143 NPC196673
Intermediate Similarity 0.7143 NPC322387
Intermediate Similarity 0.7143 NPC206800
Intermediate Similarity 0.7143 NPC67377
Intermediate Similarity 0.7143 NPC32203
Intermediate Similarity 0.7143 NPC473325
Intermediate Similarity 0.7125 NPC267443
Intermediate Similarity 0.7115 NPC280789
Intermediate Similarity 0.7115 NPC268388
Intermediate Similarity 0.7115 NPC218855
Intermediate Similarity 0.7113 NPC229242
Intermediate Similarity 0.7111 NPC294134
Intermediate Similarity 0.71 NPC114594
Intermediate Similarity 0.7097 NPC62765
Intermediate Similarity 0.7089 NPC291066
Intermediate Similarity 0.7079 NPC243289
Intermediate Similarity 0.7079 NPC208183
Intermediate Similarity 0.7071 NPC304873
Intermediate Similarity 0.7071 NPC320891
Intermediate Similarity 0.7067 NPC198841
Intermediate Similarity 0.7065 NPC329064
Intermediate Similarity 0.7059 NPC470007
Intermediate Similarity 0.7059 NPC470391
Intermediate Similarity 0.7051 NPC71009
Intermediate Similarity 0.7051 NPC200745
Intermediate Similarity 0.7048 NPC470253
Intermediate Similarity 0.7048 NPC471481
Intermediate Similarity 0.7048 NPC93287
Intermediate Similarity 0.7045 NPC71795
Intermediate Similarity 0.7041 NPC325497
Intermediate Similarity 0.7041 NPC54647

Drug Structure

External Identifiers

TTD  
DrugBank   DB01878
ChEMBL   CHEMBL90039
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   41308
CAS Number  119-61-9

Drug Properties

Molecular Weight  182.07
ALogP  -0.2638
MLogP  2.78
XLogP  5.677
HDA  1
HBD  0
Rotatable Bonds  2
TPSA  17.07
RO5 Violation  1