Drug Information

Drug ID:  NPD1239
Drug Name:  Felbinac
Molecular Formula:  C14H12O2
Canonical SMILES:  OC(=O)Cc1ccc(cc1)c1ccccc1
Standard InCHI:  InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
Standard InCHIKey:  QRZAKQDHEVVFRX-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1239

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 0.9222 NPC172925
High Similarity 0.9205 NPC274455
High Similarity 0.9205 NPC86670
High Similarity 0.9205 NPC70940
High Similarity 0.908 NPC322387
High Similarity 0.9059 NPC285773
High Similarity 0.8764 NPC329064
High Similarity 0.8763 NPC105899
High Similarity 0.8706 NPC127343
High Similarity 0.8621 NPC44830
High Similarity 0.85 NPC318327
Intermediate Similarity 0.8462 NPC9822
Intermediate Similarity 0.8427 NPC95965
Intermediate Similarity 0.8409 NPC288903
Intermediate Similarity 0.8367 NPC329556
Intermediate Similarity 0.8367 NPC255676
Intermediate Similarity 0.8316 NPC261947
Intermediate Similarity 0.8265 NPC304873
Intermediate Similarity 0.8252 NPC66208
Intermediate Similarity 0.8247 NPC217621
Intermediate Similarity 0.8222 NPC294134
Intermediate Similarity 0.8163 NPC128248
Intermediate Similarity 0.8163 NPC133809
Intermediate Similarity 0.8163 NPC225079
Intermediate Similarity 0.8163 NPC136810
Intermediate Similarity 0.8119 NPC94751
Intermediate Similarity 0.8119 NPC142326
Intermediate Similarity 0.8085 NPC317645
Intermediate Similarity 0.8085 NPC110704
Intermediate Similarity 0.8081 NPC25458
Intermediate Similarity 0.8041 NPC253423
Intermediate Similarity 0.7959 NPC229242
Intermediate Similarity 0.7938 NPC61944
Intermediate Similarity 0.7917 NPC34243
Intermediate Similarity 0.7917 NPC261181
Intermediate Similarity 0.7895 NPC141607
Intermediate Similarity 0.7895 NPC187725
Intermediate Similarity 0.7895 NPC86987
Intermediate Similarity 0.7864 NPC249811
Intermediate Similarity 0.7857 NPC226041
Intermediate Similarity 0.7857 NPC270654
Intermediate Similarity 0.7843 NPC134120
Intermediate Similarity 0.781 NPC95126
Intermediate Similarity 0.781 NPC475002
Intermediate Similarity 0.78 NPC264728
Intermediate Similarity 0.78 NPC473325
Intermediate Similarity 0.7789 NPC62765
Intermediate Similarity 0.7778 NPC160548
Intermediate Similarity 0.7778 NPC210529
Intermediate Similarity 0.7778 NPC175852
Intermediate Similarity 0.7767 NPC37914
Intermediate Similarity 0.7765 NPC155429
Intermediate Similarity 0.7757 NPC471721
Intermediate Similarity 0.7745 NPC329282
Intermediate Similarity 0.7736 NPC186128
Intermediate Similarity 0.7727 NPC328694
Intermediate Similarity 0.7723 NPC284477
Intermediate Similarity 0.7717 NPC267704
Intermediate Similarity 0.7706 NPC158157
Intermediate Similarity 0.77 NPC221825
Intermediate Similarity 0.7692 NPC323103
Intermediate Similarity 0.7692 NPC156648
Intermediate Similarity 0.7685 NPC186933
Intermediate Similarity 0.7677 NPC477767
Intermediate Similarity 0.7677 NPC289201
Intermediate Similarity 0.767 NPC471186
Intermediate Similarity 0.767 NPC172483
Intermediate Similarity 0.7667 NPC121800
Intermediate Similarity 0.7653 NPC206764
Intermediate Similarity 0.7647 NPC274443
Intermediate Similarity 0.7629 NPC323164
Intermediate Similarity 0.7624 NPC52472
Intermediate Similarity 0.7624 NPC282895
Intermediate Similarity 0.7624 NPC42211
Intermediate Similarity 0.7609 NPC270507
Intermediate Similarity 0.76 NPC120393
Intermediate Similarity 0.76 NPC271475
Intermediate Similarity 0.7579 NPC477693
Intermediate Similarity 0.7579 NPC477704
Intermediate Similarity 0.7576 NPC469893
Intermediate Similarity 0.7573 NPC249067
Intermediate Similarity 0.7556 NPC272260
Intermediate Similarity 0.7556 NPC170484
Intermediate Similarity 0.7553 NPC318107
Intermediate Similarity 0.7549 NPC244427
Intermediate Similarity 0.7549 NPC222390
Intermediate Similarity 0.7528 NPC9796
Intermediate Similarity 0.7525 NPC476042
Intermediate Similarity 0.7525 NPC228435
Intermediate Similarity 0.7525 NPC245561
Intermediate Similarity 0.7525 NPC118343
Intermediate Similarity 0.7523 NPC221275
Intermediate Similarity 0.75 NPC231591
Intermediate Similarity 0.75 NPC156021
Intermediate Similarity 0.75 NPC93287
Intermediate Similarity 0.75 NPC189371
Intermediate Similarity 0.75 NPC469890
Intermediate Similarity 0.75 NPC103387
Intermediate Similarity 0.75 NPC469892
Intermediate Similarity 0.75 NPC469891
Intermediate Similarity 0.7476 NPC160382
Intermediate Similarity 0.7476 NPC247976
Intermediate Similarity 0.7476 NPC13426
Intermediate Similarity 0.7474 NPC69057
Intermediate Similarity 0.7473 NPC95868
Intermediate Similarity 0.7453 NPC281604
Intermediate Similarity 0.7451 NPC469481
Intermediate Similarity 0.7449 NPC128645
Intermediate Similarity 0.7447 NPC475710
Intermediate Similarity 0.7444 NPC103488
Intermediate Similarity 0.7444 NPC224544
Intermediate Similarity 0.7431 NPC196673
Intermediate Similarity 0.7429 NPC85560
Intermediate Similarity 0.7429 NPC244933
Intermediate Similarity 0.7423 NPC277277
Intermediate Similarity 0.7423 NPC84288
Intermediate Similarity 0.7419 NPC273758
Intermediate Similarity 0.7407 NPC79496
Intermediate Similarity 0.7407 NPC158282
Intermediate Similarity 0.7404 NPC472221
Intermediate Similarity 0.7404 NPC261573
Intermediate Similarity 0.7404 NPC8931
Intermediate Similarity 0.7404 NPC472222
Intermediate Similarity 0.7404 NPC269644
Intermediate Similarity 0.7404 NPC120693
Intermediate Similarity 0.7391 NPC273033
Intermediate Similarity 0.7391 NPC12936
Intermediate Similarity 0.7387 NPC212891
Intermediate Similarity 0.7386 NPC108218
Intermediate Similarity 0.7368 NPC474211
Intermediate Similarity 0.7353 NPC7435
Intermediate Similarity 0.7353 NPC203925
Intermediate Similarity 0.7347 NPC103346
Intermediate Similarity 0.734 NPC168855
Intermediate Similarity 0.7333 NPC13495
Intermediate Similarity 0.7328 NPC318067
Intermediate Similarity 0.7327 NPC324569
Intermediate Similarity 0.7327 NPC10781
Intermediate Similarity 0.7327 NPC293628
Intermediate Similarity 0.7327 NPC122493
Intermediate Similarity 0.7321 NPC45794
Intermediate Similarity 0.7321 NPC228318
Intermediate Similarity 0.732 NPC199567
Intermediate Similarity 0.7315 NPC474057
Intermediate Similarity 0.7312 NPC73637
Intermediate Similarity 0.7312 NPC121478
Intermediate Similarity 0.73 NPC130398
Intermediate Similarity 0.729 NPC85493
Intermediate Similarity 0.7283 NPC157055
Intermediate Similarity 0.7283 NPC17408
Intermediate Similarity 0.7283 NPC477703
Intermediate Similarity 0.7283 NPC164449
Intermediate Similarity 0.7283 NPC71664
Intermediate Similarity 0.7283 NPC285716
Intermediate Similarity 0.7283 NPC184030
Intermediate Similarity 0.7282 NPC70624
Intermediate Similarity 0.7282 NPC94487
Intermediate Similarity 0.7273 NPC285679
Intermediate Similarity 0.7265 NPC111088
Intermediate Similarity 0.7265 NPC236189
Intermediate Similarity 0.7264 NPC83409
Intermediate Similarity 0.7264 NPC317592
Intermediate Similarity 0.7264 NPC185763
Intermediate Similarity 0.7264 NPC188677
Intermediate Similarity 0.7264 NPC100767
Intermediate Similarity 0.7263 NPC123476
Intermediate Similarity 0.7263 NPC474354
Intermediate Similarity 0.7257 NPC318173
Intermediate Similarity 0.7255 NPC329387
Intermediate Similarity 0.7255 NPC317280
Intermediate Similarity 0.7248 NPC292834
Intermediate Similarity 0.7248 NPC471189
Intermediate Similarity 0.7248 NPC471188
Intermediate Similarity 0.7245 NPC19256
Intermediate Similarity 0.7245 NPC240108
Intermediate Similarity 0.7245 NPC258627
Intermediate Similarity 0.7245 NPC213156
Intermediate Similarity 0.7238 NPC114594
Intermediate Similarity 0.7228 NPC12695
Intermediate Similarity 0.7216 NPC267262
Intermediate Similarity 0.7212 NPC320891
Intermediate Similarity 0.7212 NPC475978
Intermediate Similarity 0.7212 NPC188895
Intermediate Similarity 0.7212 NPC474820
Intermediate Similarity 0.7207 NPC306740
Intermediate Similarity 0.7207 NPC476357
Intermediate Similarity 0.7204 NPC133050
Intermediate Similarity 0.7204 NPC145053
Intermediate Similarity 0.72 NPC289883
Intermediate Similarity 0.7196 NPC211439
Intermediate Similarity 0.7196 NPC141523
Intermediate Similarity 0.7196 NPC21929
Intermediate Similarity 0.7196 NPC112903
Intermediate Similarity 0.7196 NPC203732
Intermediate Similarity 0.7191 NPC208075
Intermediate Similarity 0.7188 NPC93843
Intermediate Similarity 0.7184 NPC280869
Intermediate Similarity 0.7184 NPC12730
Intermediate Similarity 0.7182 NPC128368
Intermediate Similarity 0.7182 NPC143768

Drug Structure

External Identifiers

TTD   DIB007999
DrugBank   DB07477
ChEMBL   CHEMBL413965
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   31597
CAS Number  5728-52-9

Drug Properties

Molecular Weight  212.08
ALogP  -0.205
MLogP  2.78
XLogP  6.31
HDA  2
HBD  1
Rotatable Bonds  4
TPSA  37.3
RO5 Violation  1