Drug Information

Drug ID:  NPD1932
Drug Name:  Fenbufen
Molecular Formula:  C16H14O3
Canonical SMILES:  O=C(c1ccc(cc1)c1ccccc1)CCC(=O)O
Standard InCHI:  InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
Standard InCHIKey:  ZPAKPRAICRBAOD-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1932

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 0.89 NPC329556
High Similarity 0.8725 NPC105899
High Similarity 0.8627 NPC329282
Intermediate Similarity 0.8476 NPC318327
Intermediate Similarity 0.8431 NPC25458
Intermediate Similarity 0.835 NPC247976
Intermediate Similarity 0.835 NPC255676
Intermediate Similarity 0.8333 NPC93287
Intermediate Similarity 0.8265 NPC110704
Intermediate Similarity 0.8252 NPC304873
Intermediate Similarity 0.8241 NPC186128
Intermediate Similarity 0.8241 NPC66208
Intermediate Similarity 0.8235 NPC217621
Intermediate Similarity 0.8229 NPC69057
Intermediate Similarity 0.82 NPC172925
Intermediate Similarity 0.8198 NPC158157
Intermediate Similarity 0.819 NPC134120
Intermediate Similarity 0.8142 NPC202015
Intermediate Similarity 0.8113 NPC100767
Intermediate Similarity 0.8103 NPC318067
Intermediate Similarity 0.8091 NPC471721
Intermediate Similarity 0.8053 NPC318173
Intermediate Similarity 0.8039 NPC253423
Intermediate Similarity 0.8021 NPC95965
Intermediate Similarity 0.8019 NPC172483
Intermediate Similarity 0.8 NPC273758
Intermediate Similarity 0.8 NPC44830
Intermediate Similarity 0.8 NPC470253
Intermediate Similarity 0.8 NPC274443
Intermediate Similarity 0.7982 NPC265513
Intermediate Similarity 0.7981 NPC225079
Intermediate Similarity 0.798 NPC274455
Intermediate Similarity 0.798 NPC277277
Intermediate Similarity 0.798 NPC86670
Intermediate Similarity 0.798 NPC19256
Intermediate Similarity 0.798 NPC70940
Intermediate Similarity 0.7979 NPC273033
Intermediate Similarity 0.7979 NPC12936
Intermediate Similarity 0.7961 NPC49994
Intermediate Similarity 0.7944 NPC37914
Intermediate Similarity 0.7941 NPC61944
Intermediate Similarity 0.7928 NPC196673
Intermediate Similarity 0.7921 NPC34243
Intermediate Similarity 0.7921 NPC289883
Intermediate Similarity 0.7909 NPC292834
Intermediate Similarity 0.7909 NPC280789
Intermediate Similarity 0.7905 NPC222390
Intermediate Similarity 0.7905 NPC244427
Intermediate Similarity 0.7872 NPC127343
Intermediate Similarity 0.7872 NPC71664
Intermediate Similarity 0.787 NPC249811
Intermediate Similarity 0.7864 NPC156021
Intermediate Similarity 0.7857 NPC322387
Intermediate Similarity 0.7857 NPC186933
Intermediate Similarity 0.7857 NPC217111
Intermediate Similarity 0.7838 NPC143768
Intermediate Similarity 0.7822 NPC59677
Intermediate Similarity 0.7822 NPC155232
Intermediate Similarity 0.7818 NPC474057
Intermediate Similarity 0.7812 NPC285773
Intermediate Similarity 0.781 NPC282895
Intermediate Similarity 0.781 NPC473325
Intermediate Similarity 0.781 NPC136810
Intermediate Similarity 0.781 NPC133809
Intermediate Similarity 0.781 NPC128248
Intermediate Similarity 0.78 NPC173413
Intermediate Similarity 0.7797 NPC328107
Intermediate Similarity 0.7789 NPC145053
Intermediate Similarity 0.7788 NPC329387
Intermediate Similarity 0.7788 NPC317280
Intermediate Similarity 0.7788 NPC229242
Intermediate Similarity 0.7778 NPC329064
Intermediate Similarity 0.7778 NPC267262
Intermediate Similarity 0.7778 NPC157778
Intermediate Similarity 0.7778 NPC477693
Intermediate Similarity 0.7778 NPC477704
Intermediate Similarity 0.7757 NPC249067
Intermediate Similarity 0.7748 NPC218855
Intermediate Similarity 0.7745 NPC238219
Intermediate Similarity 0.7745 NPC261181
Intermediate Similarity 0.7723 NPC284475
Intermediate Similarity 0.7723 NPC187725
Intermediate Similarity 0.7723 NPC141607
Intermediate Similarity 0.7706 NPC211439
Intermediate Similarity 0.77 NPC113307
Intermediate Similarity 0.77 NPC418308
Intermediate Similarity 0.7699 NPC215419
Intermediate Similarity 0.7692 NPC289201
Intermediate Similarity 0.7677 NPC43945
Intermediate Similarity 0.767 NPC472880
Intermediate Similarity 0.7652 NPC222968
Intermediate Similarity 0.7652 NPC80605
Intermediate Similarity 0.7652 NPC323440
Intermediate Similarity 0.7647 NPC153885
Intermediate Similarity 0.7647 NPC1682
Intermediate Similarity 0.7647 NPC188844
Intermediate Similarity 0.7642 NPC472879
Intermediate Similarity 0.7629 NPC215008
Intermediate Similarity 0.7627 NPC269923
Intermediate Similarity 0.7627 NPC167323
Intermediate Similarity 0.7624 NPC62765
Intermediate Similarity 0.7619 NPC134882
Intermediate Similarity 0.7611 NPC67377
Intermediate Similarity 0.7611 NPC234637
Intermediate Similarity 0.7611 NPC130591
Intermediate Similarity 0.7579 NPC151405
Intermediate Similarity 0.7579 NPC300205
Intermediate Similarity 0.7579 NPC139901
Intermediate Similarity 0.7576 NPC307
Intermediate Similarity 0.7576 NPC160339
Intermediate Similarity 0.757 NPC284477
Intermediate Similarity 0.757 NPC320891
Intermediate Similarity 0.7565 NPC469843
Intermediate Similarity 0.7563 NPC68167
Intermediate Similarity 0.7553 NPC245966
Intermediate Similarity 0.7549 NPC133461
Intermediate Similarity 0.7549 NPC103346
Intermediate Similarity 0.7545 NPC203732
Intermediate Similarity 0.7544 NPC476357
Intermediate Similarity 0.7541 NPC115797
Intermediate Similarity 0.7541 NPC51448
Intermediate Similarity 0.7525 NPC9822
Intermediate Similarity 0.7524 NPC265220
Intermediate Similarity 0.7524 NPC239185
Intermediate Similarity 0.7524 NPC226041
Intermediate Similarity 0.7522 NPC128368
Intermediate Similarity 0.7522 NPC471481
Intermediate Similarity 0.7521 NPC204784
Intermediate Similarity 0.75 NPC164086
Intermediate Similarity 0.75 NPC190567
Intermediate Similarity 0.75 NPC260233
Intermediate Similarity 0.75 NPC95868
Intermediate Similarity 0.75 NPC206764
Intermediate Similarity 0.75 NPC228318
Intermediate Similarity 0.75 NPC85511
Intermediate Similarity 0.7478 NPC322197
Intermediate Similarity 0.7477 NPC264728
Intermediate Similarity 0.7477 NPC109514
Intermediate Similarity 0.7477 NPC42211
Intermediate Similarity 0.7477 NPC85493
Intermediate Similarity 0.7477 NPC476993
Intermediate Similarity 0.7476 NPC323420
Intermediate Similarity 0.7475 NPC123476
Intermediate Similarity 0.7474 NPC36342
Intermediate Similarity 0.7474 NPC2785
Intermediate Similarity 0.7474 NPC285470
Intermediate Similarity 0.7456 NPC294458
Intermediate Similarity 0.7455 NPC83409
Intermediate Similarity 0.7455 NPC244933
Intermediate Similarity 0.7455 NPC142326
Intermediate Similarity 0.7455 NPC185763
Intermediate Similarity 0.7455 NPC94751
Intermediate Similarity 0.7455 NPC85560
Intermediate Similarity 0.7453 NPC75724
Intermediate Similarity 0.7453 NPC271475
Intermediate Similarity 0.7438 NPC295664
Intermediate Similarity 0.7438 NPC236189
Intermediate Similarity 0.7434 NPC158282
Intermediate Similarity 0.7431 NPC472221
Intermediate Similarity 0.7431 NPC472222
Intermediate Similarity 0.7429 NPC185208
Intermediate Similarity 0.7429 NPC261947
Intermediate Similarity 0.7429 NPC12695
Intermediate Similarity 0.7429 NPC219573
Intermediate Similarity 0.74 NPC318107
Intermediate Similarity 0.7396 NPC272260
Intermediate Similarity 0.7387 NPC141523
Intermediate Similarity 0.7387 NPC156648
Intermediate Similarity 0.7387 NPC112903
Intermediate Similarity 0.7383 NPC203925
Intermediate Similarity 0.7383 NPC221825
Intermediate Similarity 0.7383 NPC228435
Intermediate Similarity 0.7383 NPC476042
Intermediate Similarity 0.7383 NPC118343
Intermediate Similarity 0.7379 NPC86987
Intermediate Similarity 0.7373 NPC472708
Intermediate Similarity 0.7368 NPC242957
Intermediate Similarity 0.7368 NPC287055
Intermediate Similarity 0.7368 NPC9796
Intermediate Similarity 0.7368 NPC206414
Intermediate Similarity 0.7368 NPC306977
Intermediate Similarity 0.7364 NPC471186
Intermediate Similarity 0.7358 NPC240042
Intermediate Similarity 0.7358 NPC477767
Intermediate Similarity 0.7358 NPC270654
Intermediate Similarity 0.7355 NPC275145
Intermediate Similarity 0.7353 NPC325709
Intermediate Similarity 0.7353 NPC231591
Intermediate Similarity 0.735 NPC160199
Intermediate Similarity 0.7345 NPC475002
Intermediate Similarity 0.7345 NPC260818
Intermediate Similarity 0.7345 NPC95126
Intermediate Similarity 0.7333 NPC120545
Intermediate Similarity 0.7328 NPC9274
Intermediate Similarity 0.7327 NPC194326
Intermediate Similarity 0.732 NPC285716
Intermediate Similarity 0.732 NPC17408
Intermediate Similarity 0.7315 NPC112552
Intermediate Similarity 0.7315 NPC70624
Intermediate Similarity 0.7311 NPC472680

Drug Structure

External Identifiers

TTD   DNC014108
DrugBank   DB08981
ChEMBL   CHEMBL277522
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D01344
PubChem CID   3335
ChEBI   31599
CAS Number  36330-85-5

Drug Properties

Molecular Weight  254.09
ALogP  -0.434
MLogP  2.89
XLogP  5.531
HDA  3
HBD  1
Rotatable Bonds  6
TPSA  54.37
RO5 Violation  1