Drug Information

Drug ID:  NPD675
Drug Name:  ruthenium-based complexes (cancer), MMI
Molecular Formula:  C12H10
Canonical SMILES:  c1ccc(cc1)c1ccccc1
Standard InCHI:  InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
Standard InCHIKey:  ZUOUZKKEUPVFJK-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD675

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 NPC113670
High Similarity 0.9661 NPC246588
High Similarity 0.9516 NPC267443
High Similarity 0.9508 NPC291066
High Similarity 0.9322 NPC114327
High Similarity 0.9322 NPC36357
High Similarity 0.9219 NPC473206
High Similarity 0.9219 NPC213570
High Similarity 0.9219 NPC139416
High Similarity 0.9219 NPC246822
High Similarity 0.918 NPC22786
High Similarity 0.918 NPC71009
High Similarity 0.9077 NPC251490
High Similarity 0.9077 NPC72670
High Similarity 0.9077 NPC263385
High Similarity 0.9016 NPC135924
High Similarity 0.8983 NPC198841
High Similarity 0.8939 NPC135433
High Similarity 0.8939 NPC280135
High Similarity 0.8939 NPC226999
High Similarity 0.8939 NPC193578
High Similarity 0.8939 NPC39799
High Similarity 0.8939 NPC87099
High Similarity 0.8939 NPC1008
High Similarity 0.8939 NPC158028
High Similarity 0.8871 NPC200745
High Similarity 0.8871 NPC29680
High Similarity 0.8833 NPC212114
High Similarity 0.8833 NPC65873
High Similarity 0.8833 NPC120441
High Similarity 0.8833 NPC300345
High Similarity 0.8814 NPC149436
High Similarity 0.8806 NPC1901
High Similarity 0.873 NPC88566
High Similarity 0.871 NPC210849
High Similarity 0.871 NPC54368
High Similarity 0.871 NPC150196
High Similarity 0.871 NPC248705
High Similarity 0.871 NPC238023
High Similarity 0.871 NPC310758
High Similarity 0.8676 NPC96835
High Similarity 0.8676 NPC258492
High Similarity 0.8667 NPC269586
High Similarity 0.8594 NPC32312
High Similarity 0.8594 NPC155172
High Similarity 0.8594 NPC264470
High Similarity 0.8594 NPC198023
High Similarity 0.8571 NPC66517
High Similarity 0.8551 NPC307195
High Similarity 0.8548 NPC147062
High Similarity 0.85 NPC277704
Intermediate Similarity 0.8462 NPC178527
Intermediate Similarity 0.8462 NPC36440
Intermediate Similarity 0.8438 NPC45756
Intermediate Similarity 0.8438 NPC21211
Intermediate Similarity 0.8387 NPC8235
Intermediate Similarity 0.8387 NPC64270
Intermediate Similarity 0.8333 NPC6107
Intermediate Similarity 0.8261 NPC54269
Intermediate Similarity 0.8254 NPC169110
Intermediate Similarity 0.8209 NPC22760
Intermediate Similarity 0.8194 NPC255345
Intermediate Similarity 0.8194 NPC245896
Intermediate Similarity 0.8194 NPC66270
Intermediate Similarity 0.8182 NPC113837
Intermediate Similarity 0.8182 NPC289915
Intermediate Similarity 0.8088 NPC5324
Intermediate Similarity 0.8088 NPC297358
Intermediate Similarity 0.8082 NPC159661
Intermediate Similarity 0.7973 NPC315216
Intermediate Similarity 0.7973 NPC50063
Intermediate Similarity 0.7879 NPC50266
Intermediate Similarity 0.7846 NPC45255
Intermediate Similarity 0.7808 NPC249018
Intermediate Similarity 0.7808 NPC3190
Intermediate Similarity 0.7808 NPC9796
Intermediate Similarity 0.7746 NPC212463
Intermediate Similarity 0.7692 NPC147578
Intermediate Similarity 0.76 NPC272260
Intermediate Similarity 0.7576 NPC200624
Intermediate Similarity 0.7571 NPC200936
Intermediate Similarity 0.75 NPC95868
Intermediate Similarity 0.75 NPC184030
Intermediate Similarity 0.75 NPC164449
Intermediate Similarity 0.7465 NPC229235
Intermediate Similarity 0.7432 NPC110264
Intermediate Similarity 0.7429 NPC82770
Intermediate Similarity 0.7429 NPC239931
Intermediate Similarity 0.7429 NPC311343
Intermediate Similarity 0.7429 NPC78954
Intermediate Similarity 0.7403 NPC12936
Intermediate Similarity 0.7403 NPC273033
Intermediate Similarity 0.7375 NPC148231
Intermediate Similarity 0.7368 NPC139901
Intermediate Similarity 0.7368 NPC151405
Intermediate Similarity 0.7361 NPC74458
Intermediate Similarity 0.7361 NPC208302
Intermediate Similarity 0.7342 NPC133162
Intermediate Similarity 0.7342 NPC95429
Intermediate Similarity 0.7333 NPC298023
Intermediate Similarity 0.7333 NPC179726
Intermediate Similarity 0.7324 NPC16190
Intermediate Similarity 0.7324 NPC98880
Intermediate Similarity 0.7324 NPC235059
Intermediate Similarity 0.7324 NPC169222
Intermediate Similarity 0.7308 NPC121478
Intermediate Similarity 0.7308 NPC73637
Intermediate Similarity 0.7297 NPC276699
Intermediate Similarity 0.7297 NPC189371
Intermediate Similarity 0.7288 NPC11150
Intermediate Similarity 0.7286 NPC52330
Intermediate Similarity 0.7273 NPC477703
Intermediate Similarity 0.7273 NPC71664
Intermediate Similarity 0.726 NPC271437
Intermediate Similarity 0.726 NPC244738
Intermediate Similarity 0.726 NPC285679
Intermediate Similarity 0.7237 NPC103488
Intermediate Similarity 0.7237 NPC224544
Intermediate Similarity 0.7222 NPC95289
Intermediate Similarity 0.7215 NPC119677
Intermediate Similarity 0.7215 NPC273758
Intermediate Similarity 0.7162 NPC108218
Intermediate Similarity 0.7162 NPC122327
Intermediate Similarity 0.7162 NPC112609
Intermediate Similarity 0.7162 NPC208075
Intermediate Similarity 0.7162 NPC113000
Intermediate Similarity 0.7123 NPC326200
Intermediate Similarity 0.7123 NPC155429
Intermediate Similarity 0.7108 NPC176858
Intermediate Similarity 0.7108 NPC113307
Intermediate Similarity 0.7108 NPC418308
Intermediate Similarity 0.7108 NPC325709
Intermediate Similarity 0.7108 NPC199567
Intermediate Similarity 0.7105 NPC290638
Intermediate Similarity 0.7089 NPC475199
Intermediate Similarity 0.7089 NPC283012
Intermediate Similarity 0.7051 NPC17408
Intermediate Similarity 0.7051 NPC285716
Intermediate Similarity 0.7051 NPC328178
Intermediate Similarity 0.7051 NPC157055
Intermediate Similarity 0.7037 NPC475710
Intermediate Similarity 0.7037 NPC99482
Intermediate Similarity 0.7024 NPC191444
Intermediate Similarity 0.7024 NPC277277
Remote Similarity 0.6988 NPC267262
Remote Similarity 0.6986 NPC219246
Remote Similarity 0.6974 NPC139658
Remote Similarity 0.6962 NPC133050
Remote Similarity 0.6962 NPC165212
Remote Similarity 0.6962 NPC242628
Remote Similarity 0.6944 NPC181786
Remote Similarity 0.6941 NPC103346
Remote Similarity 0.6914 NPC169016
Remote Similarity 0.6883 NPC245966
Remote Similarity 0.6883 NPC98269
Remote Similarity 0.6883 NPC325662
Remote Similarity 0.6875 NPC230068
Remote Similarity 0.6867 NPC60408
Remote Similarity 0.6867 NPC69057
Remote Similarity 0.686 NPC128645
Remote Similarity 0.6857 NPC22627
Remote Similarity 0.6842 NPC206800
Remote Similarity 0.6842 NPC98976
Remote Similarity 0.6842 NPC32203
Remote Similarity 0.6835 NPC190567
Remote Similarity 0.6829 NPC123476
Remote Similarity 0.6824 NPC19256
Remote Similarity 0.6795 NPC36342
Remote Similarity 0.6795 NPC285470
Remote Similarity 0.6795 NPC76455
Remote Similarity 0.6795 NPC137847
Remote Similarity 0.6795 NPC2785
Remote Similarity 0.679 NPC208183
Remote Similarity 0.679 NPC243289
Remote Similarity 0.679 NPC477770
Remote Similarity 0.679 NPC104070
Remote Similarity 0.6782 NPC271440
Remote Similarity 0.6753 NPC271642
Remote Similarity 0.6753 NPC175393
Remote Similarity 0.675 NPC231986
Remote Similarity 0.675 NPC145053
Remote Similarity 0.6747 NPC203076
Remote Similarity 0.6744 NPC470926
Remote Similarity 0.6711 NPC299134
Remote Similarity 0.6709 NPC300205
Remote Similarity 0.6709 NPC170484
Remote Similarity 0.6707 NPC267704
Remote Similarity 0.6707 NPC168855
Remote Similarity 0.6706 NPC298115
Remote Similarity 0.6706 NPC231591
Remote Similarity 0.6705 NPC472880
Remote Similarity 0.6705 NPC172925
Remote Similarity 0.6667 NPC108800
Remote Similarity 0.6667 NPC287790
Remote Similarity 0.6667 NPC125144
Remote Similarity 0.6667 NPC121708
Remote Similarity 0.6667 NPC329318
Remote Similarity 0.6667 NPC3672
Remote Similarity 0.6629 NPC21959
Remote Similarity 0.6628 NPC26224

Drug Structure

External Identifiers

TTD   DIB014093
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  154.08
ALogP  0
MLogP  2.78
XLogP  7.292
HDA  0
HBD  0
Rotatable Bonds  1
TPSA  0
RO5 Violation  1