Drug Information

Drug ID:  NPD1989
Drug Name:  Felbinac prodrug (liposomal), Lederle
Molecular Formula:  C16H16O2
Canonical SMILES:  CCOC(=O)Cc1ccc(cc1)c1ccccc1
Standard InCHI:  InChI=1S/C16H16O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
Standard InCHIKey:  NPPJLSILDPVHCM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1989

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 0.9326 NPC9822
High Similarity 0.8876 NPC294134
High Similarity 0.8652 NPC288903
High Similarity 0.8602 NPC86670
High Similarity 0.8602 NPC70940
High Similarity 0.8602 NPC274455
High Similarity 0.8539 NPC323103
Intermediate Similarity 0.8462 NPC475710
Intermediate Similarity 0.8454 NPC226041
Intermediate Similarity 0.8454 NPC270654
Intermediate Similarity 0.8444 NPC270507
Intermediate Similarity 0.8333 NPC103387
Intermediate Similarity 0.8315 NPC121800
Intermediate Similarity 0.8298 NPC231591
Intermediate Similarity 0.8283 NPC221825
Intermediate Similarity 0.828 NPC322387
Intermediate Similarity 0.8247 NPC172925
Intermediate Similarity 0.8202 NPC170484
Intermediate Similarity 0.82 NPC473325
Intermediate Similarity 0.8155 NPC94751
Intermediate Similarity 0.8155 NPC142326
Intermediate Similarity 0.81 NPC476042
Intermediate Similarity 0.8058 NPC105899
Intermediate Similarity 0.8043 NPC285773
Intermediate Similarity 0.8043 NPC44830
Intermediate Similarity 0.8037 NPC128368
Intermediate Similarity 0.8021 NPC84288
Intermediate Similarity 0.8021 NPC213156
Intermediate Similarity 0.8021 NPC240108
Intermediate Similarity 0.802 NPC42211
Intermediate Similarity 0.8 NPC329064
Intermediate Similarity 0.7921 NPC7435
Intermediate Similarity 0.7921 NPC118343
Intermediate Similarity 0.7885 NPC269457
Intermediate Similarity 0.7864 NPC329556
Intermediate Similarity 0.7843 NPC133809
Intermediate Similarity 0.7843 NPC225079
Intermediate Similarity 0.7843 NPC70624
Intermediate Similarity 0.7843 NPC136810
Intermediate Similarity 0.7843 NPC128248
Intermediate Similarity 0.7822 NPC78701
Intermediate Similarity 0.7822 NPC35448
Intermediate Similarity 0.78 NPC261947
Intermediate Similarity 0.7778 NPC66208
Intermediate Similarity 0.7778 NPC79496
Intermediate Similarity 0.7757 NPC158854
Intermediate Similarity 0.7757 NPC273837
Intermediate Similarity 0.7755 NPC141607
Intermediate Similarity 0.7755 NPC187725
Intermediate Similarity 0.7745 NPC146351
Intermediate Similarity 0.7732 NPC220893
Intermediate Similarity 0.7723 NPC276775
Intermediate Similarity 0.7723 NPC103048
Intermediate Similarity 0.7723 NPC249912
Intermediate Similarity 0.7723 NPC92754
Intermediate Similarity 0.7717 NPC127343
Intermediate Similarity 0.7717 NPC157055
Intermediate Similarity 0.7714 NPC471186
Intermediate Similarity 0.7708 NPC69057
Intermediate Similarity 0.7708 NPC89377
Intermediate Similarity 0.7692 NPC474365
Intermediate Similarity 0.7692 NPC301943
Intermediate Similarity 0.7679 NPC45794
Intermediate Similarity 0.7672 NPC318067
Intermediate Similarity 0.7664 NPC281604
Intermediate Similarity 0.7664 NPC318327
Intermediate Similarity 0.7664 NPC17417
Intermediate Similarity 0.7664 NPC10251
Intermediate Similarity 0.7664 NPC469636
Intermediate Similarity 0.7647 NPC271475
Intermediate Similarity 0.7647 NPC225060
Intermediate Similarity 0.7624 NPC12695
Intermediate Similarity 0.7619 NPC269644
Intermediate Similarity 0.7615 NPC270699
Intermediate Similarity 0.7615 NPC280789
Intermediate Similarity 0.7615 NPC82899
Intermediate Similarity 0.7609 NPC272260
Intermediate Similarity 0.76 NPC261181
Intermediate Similarity 0.7596 NPC188895
Intermediate Similarity 0.7596 NPC304873
Intermediate Similarity 0.7593 NPC196246
Intermediate Similarity 0.7593 NPC93084
Intermediate Similarity 0.7593 NPC214067
Intermediate Similarity 0.7593 NPC251854
Intermediate Similarity 0.7582 NPC9796
Intermediate Similarity 0.7576 NPC317645
Intermediate Similarity 0.7576 NPC119631
Intermediate Similarity 0.7576 NPC86987
Intermediate Similarity 0.7573 NPC325497
Intermediate Similarity 0.7573 NPC217621
Intermediate Similarity 0.7573 NPC203925
Intermediate Similarity 0.757 NPC21929
Intermediate Similarity 0.757 NPC56493
Intermediate Similarity 0.7568 NPC221275
Intermediate Similarity 0.7553 NPC230068
Intermediate Similarity 0.7549 NPC289201
Intermediate Similarity 0.7545 NPC469547
Intermediate Similarity 0.7525 NPC206764
Intermediate Similarity 0.7525 NPC130398
Intermediate Similarity 0.7524 NPC160382
Intermediate Similarity 0.7524 NPC255676
Intermediate Similarity 0.7523 NPC475002
Intermediate Similarity 0.7523 NPC474157
Intermediate Similarity 0.7523 NPC305912
Intermediate Similarity 0.7523 NPC210089
Intermediate Similarity 0.7523 NPC1082
Intermediate Similarity 0.7523 NPC95126
Intermediate Similarity 0.7522 NPC228318
Intermediate Similarity 0.75 NPC469481
Intermediate Similarity 0.75 NPC77273
Intermediate Similarity 0.75 NPC58616
Intermediate Similarity 0.75 NPC264728
Intermediate Similarity 0.75 NPC95965
Intermediate Similarity 0.75 NPC103488
Intermediate Similarity 0.75 NPC83628
Intermediate Similarity 0.75 NPC265407
Intermediate Similarity 0.7477 NPC474111
Intermediate Similarity 0.7477 NPC67377
Intermediate Similarity 0.7477 NPC329705
Intermediate Similarity 0.7477 NPC119271
Intermediate Similarity 0.7477 NPC307651
Intermediate Similarity 0.7477 NPC471721
Intermediate Similarity 0.7476 NPC145052
Intermediate Similarity 0.7453 NPC19136
Intermediate Similarity 0.7453 NPC329282
Intermediate Similarity 0.7449 NPC304760
Intermediate Similarity 0.7434 NPC212891
Intermediate Similarity 0.7431 NPC174099
Intermediate Similarity 0.7429 NPC25458
Intermediate Similarity 0.7426 NPC23453
Intermediate Similarity 0.7411 NPC210092
Intermediate Similarity 0.7411 NPC217111
Intermediate Similarity 0.7407 NPC203732
Intermediate Similarity 0.7407 NPC156648
Intermediate Similarity 0.7407 NPC249811
Intermediate Similarity 0.7407 NPC470007
Intermediate Similarity 0.74 NPC125226
Intermediate Similarity 0.74 NPC103346
Intermediate Similarity 0.7396 NPC95429
Intermediate Similarity 0.7396 NPC267704
Intermediate Similarity 0.7391 NPC202015
Intermediate Similarity 0.7391 NPC204784
Intermediate Similarity 0.7391 NPC298023
Intermediate Similarity 0.7383 NPC209632
Intermediate Similarity 0.7379 NPC253423
Intermediate Similarity 0.7379 NPC477767
Intermediate Similarity 0.7374 NPC173443
Intermediate Similarity 0.7373 NPC328107
Intermediate Similarity 0.7368 NPC76308
Intermediate Similarity 0.7368 NPC325295
Intermediate Similarity 0.7364 NPC167504
Intermediate Similarity 0.7358 NPC89886
Intermediate Similarity 0.7358 NPC60679
Intermediate Similarity 0.734 NPC285716
Intermediate Similarity 0.734 NPC17408
Intermediate Similarity 0.7339 NPC31274
Intermediate Similarity 0.7328 NPC988
Intermediate Similarity 0.7328 NPC280827
Intermediate Similarity 0.7328 NPC289432
Intermediate Similarity 0.7328 NPC473243
Intermediate Similarity 0.7328 NPC243059
Intermediate Similarity 0.7321 NPC326664
Intermediate Similarity 0.7321 NPC153053
Intermediate Similarity 0.732 NPC252067
Intermediate Similarity 0.7315 NPC37914
Intermediate Similarity 0.7311 NPC295664
Intermediate Similarity 0.7308 NPC120393
Intermediate Similarity 0.7308 NPC210529
Intermediate Similarity 0.7308 NPC229242
Intermediate Similarity 0.7308 NPC175852
Intermediate Similarity 0.7308 NPC49994
Intermediate Similarity 0.7308 NPC160548
Intermediate Similarity 0.7304 NPC318173
Intermediate Similarity 0.73 NPC277277
Intermediate Similarity 0.73 NPC185501
Intermediate Similarity 0.7297 NPC321852
Intermediate Similarity 0.7297 NPC471189
Intermediate Similarity 0.7297 NPC471188
Intermediate Similarity 0.7297 NPC158282
Intermediate Similarity 0.7292 NPC243289
Intermediate Similarity 0.7292 NPC208183
Intermediate Similarity 0.7292 NPC197581
Intermediate Similarity 0.729 NPC114594
Intermediate Similarity 0.729 NPC31786
Intermediate Similarity 0.7282 NPC469893
Intermediate Similarity 0.7281 NPC105141
Intermediate Similarity 0.7281 NPC242764
Intermediate Similarity 0.7265 NPC144547
Intermediate Similarity 0.7264 NPC474112
Intermediate Similarity 0.7257 NPC228936
Intermediate Similarity 0.7257 NPC186933
Intermediate Similarity 0.7257 NPC474095
Intermediate Similarity 0.7255 NPC34243
Intermediate Similarity 0.7253 NPC208075
Intermediate Similarity 0.725 NPC9180
Intermediate Similarity 0.725 NPC100402
Intermediate Similarity 0.7245 NPC318107
Intermediate Similarity 0.7234 NPC151405
Intermediate Similarity 0.7234 NPC139901
Intermediate Similarity 0.7232 NPC93287

Drug Structure

External Identifiers

TTD   DIB012892
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  240.12
ALogP  0.2964
MLogP  3
XLogP  7.054
HDA  2
HBD  0
Rotatable Bonds  6
TPSA  26.3
RO5 Violation  1