Drug Information

Drug ID:  NPD506
Drug Name:  
Molecular Formula:  C11H13F3OSi
Canonical SMILES:  O=C(C(F)(F)F)c1cccc(c1)[Si](C)(C)C
Standard InCHI:  InChI=1S/C11H13F3OSi/c1-16(2,3)9-6-4-5-8(7-9)10(15)11(12,13)14/h4-7H,1-3H3
Standard InCHIKey:  GAPOASFZXBWUGS-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD506

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 0.8889 NPC36342
High Similarity 0.8889 NPC2785
High Similarity 0.8889 NPC285470
High Similarity 0.878 NPC300205
High Similarity 0.8765 NPC245966
High Similarity 0.8675 NPC190567
High Similarity 0.8675 NPC164086
High Similarity 0.8571 NPC145053
Intermediate Similarity 0.8452 NPC71664
Intermediate Similarity 0.8353 NPC12936
Intermediate Similarity 0.8353 NPC273033
Intermediate Similarity 0.8272 NPC285679
Intermediate Similarity 0.8161 NPC273758
Intermediate Similarity 0.8148 NPC74458
Intermediate Similarity 0.814 NPC73978
Intermediate Similarity 0.809 NPC307
Intermediate Similarity 0.809 NPC160339
Intermediate Similarity 0.8 NPC69057
Intermediate Similarity 0.8 NPC43945
Intermediate Similarity 0.7955 NPC39600
Intermediate Similarity 0.7955 NPC324624
Intermediate Similarity 0.7955 NPC197581
Intermediate Similarity 0.7955 NPC215008
Intermediate Similarity 0.7931 NPC100039
Intermediate Similarity 0.7912 NPC157778
Intermediate Similarity 0.7907 NPC151405
Intermediate Similarity 0.7907 NPC139901
Intermediate Similarity 0.7901 NPC98880
Intermediate Similarity 0.7816 NPC285716
Intermediate Similarity 0.7816 NPC95868
Intermediate Similarity 0.7816 NPC17408
Intermediate Similarity 0.7805 NPC95289
Intermediate Similarity 0.7791 NPC137847
Intermediate Similarity 0.7791 NPC76455
Intermediate Similarity 0.7778 NPC252067
Intermediate Similarity 0.7778 NPC311343
Intermediate Similarity 0.7765 NPC78500
Intermediate Similarity 0.7742 NPC277277
Intermediate Similarity 0.7742 NPC173413
Intermediate Similarity 0.7717 NPC267262
Intermediate Similarity 0.7717 NPC473345
Intermediate Similarity 0.7674 NPC329318
Intermediate Similarity 0.766 NPC133461
Intermediate Similarity 0.766 NPC284475
Intermediate Similarity 0.7634 NPC418308
Intermediate Similarity 0.7634 NPC113307
Intermediate Similarity 0.7586 NPC103488
Intermediate Similarity 0.7579 NPC59677
Intermediate Similarity 0.7579 NPC153885
Intermediate Similarity 0.7579 NPC1682
Intermediate Similarity 0.7579 NPC155232
Intermediate Similarity 0.7579 NPC188844
Intermediate Similarity 0.7556 NPC149263
Intermediate Similarity 0.7553 NPC19256
Intermediate Similarity 0.7529 NPC208075
Intermediate Similarity 0.7527 NPC153308
Intermediate Similarity 0.75 NPC238219
Intermediate Similarity 0.75 NPC289883
Intermediate Similarity 0.75 NPC246757
Intermediate Similarity 0.75 NPC291070
Intermediate Similarity 0.7471 NPC9796
Intermediate Similarity 0.7423 NPC260233
Intermediate Similarity 0.7412 NPC271437
Intermediate Similarity 0.7396 NPC323420
Intermediate Similarity 0.7368 NPC58872
Intermediate Similarity 0.7347 NPC219573
Intermediate Similarity 0.7347 NPC185208
Intermediate Similarity 0.7312 NPC164526
Intermediate Similarity 0.7303 NPC272260
Intermediate Similarity 0.7294 NPC326200
Intermediate Similarity 0.7292 NPC110704
Intermediate Similarity 0.7273 NPC239185
Intermediate Similarity 0.7273 NPC298023
Intermediate Similarity 0.7273 NPC179726
Intermediate Similarity 0.7273 NPC240042
Intermediate Similarity 0.7263 NPC325709
Intermediate Similarity 0.7245 NPC472880
Intermediate Similarity 0.7222 NPC477703
Intermediate Similarity 0.7204 NPC123476
Intermediate Similarity 0.72 NPC134882
Intermediate Similarity 0.72 NPC49994
Intermediate Similarity 0.72 NPC75724
Intermediate Similarity 0.7188 NPC303967
Intermediate Similarity 0.7188 NPC110420
Intermediate Similarity 0.7188 NPC67585
Intermediate Similarity 0.7113 NPC476484
Intermediate Similarity 0.7113 NPC103346
Intermediate Similarity 0.71 NPC265220
Intermediate Similarity 0.7059 NPC112552
Intermediate Similarity 0.7059 NPC109514
Intermediate Similarity 0.7059 NPC235059
Intermediate Similarity 0.7059 NPC476993
Intermediate Similarity 0.7059 NPC16190
Intermediate Similarity 0.7059 NPC169222
Intermediate Similarity 0.7033 NPC157055
Intermediate Similarity 0.7021 NPC95965
Intermediate Similarity 0.7 NPC12695
Remote Similarity 0.699 NPC25458
Remote Similarity 0.699 NPC244427
Remote Similarity 0.699 NPC222390
Remote Similarity 0.6989 NPC288903
Remote Similarity 0.6979 NPC477693
Remote Similarity 0.6979 NPC477704
Remote Similarity 0.6947 NPC318107
Remote Similarity 0.6931 NPC156021
Remote Similarity 0.6923 NPC329556
Remote Similarity 0.6923 NPC471829
Remote Similarity 0.6923 NPC472691
Remote Similarity 0.6923 NPC475939
Remote Similarity 0.6923 NPC474866
Remote Similarity 0.6923 NPC274443
Remote Similarity 0.6923 NPC247976
Remote Similarity 0.69 NPC130398
Remote Similarity 0.6893 NPC472879
Remote Similarity 0.6882 NPC230068
Remote Similarity 0.6875 NPC194326
Remote Similarity 0.6869 NPC77273
Remote Similarity 0.6863 NPC229242
Remote Similarity 0.6857 NPC329282
Remote Similarity 0.6848 NPC127343
Remote Similarity 0.6842 NPC294134
Remote Similarity 0.6809 NPC285773
Remote Similarity 0.68 NPC261181
Remote Similarity 0.68 NPC34243
Remote Similarity 0.6796 NPC325497
Remote Similarity 0.6796 NPC217621
Remote Similarity 0.6792 NPC167336
Remote Similarity 0.6792 NPC172483
Remote Similarity 0.6792 NPC474910
Remote Similarity 0.6765 NPC249912
Remote Similarity 0.6765 NPC92754
Remote Similarity 0.6765 NPC276775
Remote Similarity 0.6765 NPC103048
Remote Similarity 0.6765 NPC253423
Remote Similarity 0.6762 NPC301943
Remote Similarity 0.6762 NPC474365
Remote Similarity 0.6735 NPC298115
Remote Similarity 0.6735 NPC231591
Remote Similarity 0.6729 NPC472700
Remote Similarity 0.6729 NPC6984
Remote Similarity 0.6729 NPC100767
Remote Similarity 0.6729 NPC472699
Remote Similarity 0.6703 NPC287790
Remote Similarity 0.6703 NPC3672
Remote Similarity 0.6701 NPC322387
Remote Similarity 0.6699 NPC225060
Remote Similarity 0.6699 NPC35448
Remote Similarity 0.6699 NPC145052
Remote Similarity 0.6699 NPC78701
Remote Similarity 0.6698 NPC249067
Remote Similarity 0.6667 NPC226699
Remote Similarity 0.6667 NPC212114
Remote Similarity 0.6667 NPC172170
Remote Similarity 0.6667 NPC320891
Remote Similarity 0.6667 NPC304873
Remote Similarity 0.6667 NPC203732
Remote Similarity 0.6667 NPC34715
Remote Similarity 0.6667 NPC472701
Remote Similarity 0.6667 NPC472695
Remote Similarity 0.6667 NPC65873
Remote Similarity 0.6667 NPC472696
Remote Similarity 0.6667 NPC470391
Remote Similarity 0.6667 NPC62765
Remote Similarity 0.6667 NPC120441
Remote Similarity 0.6667 NPC300345
Remote Similarity 0.6667 NPC206800
Remote Similarity 0.6667 NPC472683
Remote Similarity 0.6667 NPC32203
Remote Similarity 0.6636 NPC209632
Remote Similarity 0.6636 NPC134120
Remote Similarity 0.6635 NPC146351
Remote Similarity 0.6635 NPC203925
Remote Similarity 0.6633 NPC329064
Remote Similarity 0.6632 NPC44830
Remote Similarity 0.663 NPC50192
Remote Similarity 0.6606 NPC470252
Remote Similarity 0.6606 NPC224584
Remote Similarity 0.6606 NPC192577
Remote Similarity 0.6602 NPC289201
Remote Similarity 0.6596 NPC89950
Remote Similarity 0.6574 NPC30594
Remote Similarity 0.6574 NPC37622
Remote Similarity 0.6571 NPC473325
Remote Similarity 0.6571 NPC70624
Remote Similarity 0.6571 NPC42211
Remote Similarity 0.6559 NPC167577
Remote Similarity 0.6559 NPC78517
Remote Similarity 0.6545 NPC95172
Remote Similarity 0.6543 NPC198841
Remote Similarity 0.6543 NPC269586
Remote Similarity 0.6542 NPC114594
Remote Similarity 0.6542 NPC31786
Remote Similarity 0.6538 NPC329387
Remote Similarity 0.6538 NPC317280
Remote Similarity 0.6517 NPC155429
Remote Similarity 0.6514 NPC211439
Remote Similarity 0.6514 NPC141523
Remote Similarity 0.6509 NPC188895
Remote Similarity 0.6509 NPC284477
Remote Similarity 0.6505 NPC61944

Drug Structure

External Identifiers

TTD   DIB003966
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   60811
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  246.07
ALogP  3.596
MLogP  2.12
XLogP  4.165
HDA  1
HBD  0
Rotatable Bonds  9
TPSA  17.07
RO5 Violation  0