Drug Information

Drug ID:  NPD454
Drug Name:  Alclofenac
Molecular Formula:  C11H11ClO3
Canonical SMILES:  C=CCOc1ccc(cc1Cl)CC(=O)O
Standard InCHI:  InChI=1S/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)
Standard InCHIKey:  ARHWPKZXBHOEEE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD454

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 0.8593 NPC86087
Intermediate Similarity 0.8406 NPC182475
Intermediate Similarity 0.8271 NPC30390
Intermediate Similarity 0.8264 NPC234639
Intermediate Similarity 0.8082 NPC282294
Intermediate Similarity 0.8017 NPC1065
Intermediate Similarity 0.8016 NPC51345
Intermediate Similarity 0.8015 NPC76453
Intermediate Similarity 0.8 NPC109241
Intermediate Similarity 0.7967 NPC259554
Intermediate Similarity 0.7939 NPC90577
Intermediate Similarity 0.7829 NPC293424
Intermediate Similarity 0.7803 NPC69403
Intermediate Similarity 0.7803 NPC291189
Intermediate Similarity 0.7787 NPC473855
Intermediate Similarity 0.7705 NPC38209
Intermediate Similarity 0.7704 NPC474476
Intermediate Similarity 0.7687 NPC221798
Intermediate Similarity 0.7669 NPC151237
Intermediate Similarity 0.7664 NPC246991
Intermediate Similarity 0.7656 NPC235250
Intermediate Similarity 0.7634 NPC264976
Intermediate Similarity 0.7623 NPC298224
Intermediate Similarity 0.7609 NPC48909
Intermediate Similarity 0.7597 NPC322358
Intermediate Similarity 0.7574 NPC475236
Intermediate Similarity 0.7571 NPC66158
Intermediate Similarity 0.7561 NPC38079
Intermediate Similarity 0.7561 NPC283546
Intermediate Similarity 0.7561 NPC108875
Intermediate Similarity 0.7559 NPC233238
Intermediate Similarity 0.7557 NPC204617
Intermediate Similarity 0.7557 NPC205502
Intermediate Similarity 0.7554 NPC193334
Intermediate Similarity 0.7541 NPC307425
Intermediate Similarity 0.7538 NPC470860
Intermediate Similarity 0.75 NPC128730
Intermediate Similarity 0.75 NPC470393
Intermediate Similarity 0.75 NPC66643
Intermediate Similarity 0.75 NPC139335
Intermediate Similarity 0.75 NPC238115
Intermediate Similarity 0.75 NPC61779
Intermediate Similarity 0.7481 NPC161768
Intermediate Similarity 0.748 NPC231251
Intermediate Similarity 0.748 NPC88868
Intermediate Similarity 0.748 NPC25067
Intermediate Similarity 0.746 NPC291837
Intermediate Similarity 0.746 NPC31274
Intermediate Similarity 0.7459 NPC52472
Intermediate Similarity 0.7459 NPC107101
Intermediate Similarity 0.7445 NPC8058
Intermediate Similarity 0.7444 NPC474874
Intermediate Similarity 0.744 NPC176971
Intermediate Similarity 0.741 NPC241354
Intermediate Similarity 0.7407 NPC27198
Intermediate Similarity 0.7405 NPC128249
Intermediate Similarity 0.7385 NPC252004
Intermediate Similarity 0.7381 NPC151530
Intermediate Similarity 0.7381 NPC157473
Intermediate Similarity 0.7377 NPC245561
Intermediate Similarity 0.7377 NPC100870
Intermediate Similarity 0.7372 NPC280767
Intermediate Similarity 0.7364 NPC17693
Intermediate Similarity 0.736 NPC8302
Intermediate Similarity 0.7348 NPC240664
Intermediate Similarity 0.7339 NPC179686
Intermediate Similarity 0.7338 NPC2596
Intermediate Similarity 0.7333 NPC194416
Intermediate Similarity 0.7333 NPC177291
Intermediate Similarity 0.7328 NPC220540
Intermediate Similarity 0.7305 NPC104854
Intermediate Similarity 0.7305 NPC470392
Intermediate Similarity 0.7305 NPC11173
Intermediate Similarity 0.7299 NPC111088
Intermediate Similarity 0.7299 NPC89630
Intermediate Similarity 0.7296 NPC68850
Intermediate Similarity 0.7293 NPC94298
Intermediate Similarity 0.7293 NPC27633
Intermediate Similarity 0.7287 NPC23332
Intermediate Similarity 0.728 NPC2518
Intermediate Similarity 0.7279 NPC311219
Intermediate Similarity 0.7278 NPC151030
Intermediate Similarity 0.7278 NPC269383
Intermediate Similarity 0.7273 NPC19290
Intermediate Similarity 0.7258 NPC51633
Intermediate Similarity 0.7254 NPC273984
Intermediate Similarity 0.7236 NPC171843
Intermediate Similarity 0.7234 NPC109778
Intermediate Similarity 0.7226 NPC473942
Intermediate Similarity 0.7222 NPC13495
Intermediate Similarity 0.7222 NPC473393
Intermediate Similarity 0.7218 NPC45104
Intermediate Similarity 0.7218 NPC217423
Intermediate Similarity 0.7214 NPC2401
Intermediate Similarity 0.7209 NPC183648
Intermediate Similarity 0.7205 NPC472032
Intermediate Similarity 0.7203 NPC2363
Intermediate Similarity 0.72 NPC192596
Intermediate Similarity 0.7197 NPC296526
Intermediate Similarity 0.7185 NPC31314
Intermediate Similarity 0.7185 NPC67791
Intermediate Similarity 0.7185 NPC230951
Intermediate Similarity 0.7185 NPC193193
Intermediate Similarity 0.7179 NPC472623
Intermediate Similarity 0.7176 NPC303522
Intermediate Similarity 0.7174 NPC33402
Intermediate Similarity 0.7165 NPC326447
Intermediate Similarity 0.7164 NPC471033
Intermediate Similarity 0.7164 NPC311091
Intermediate Similarity 0.7164 NPC101503
Intermediate Similarity 0.7163 NPC170546
Intermediate Similarity 0.7163 NPC473019
Intermediate Similarity 0.7163 NPC66246
Intermediate Similarity 0.7163 NPC238309
Intermediate Similarity 0.7163 NPC939
Intermediate Similarity 0.7154 NPC57879
Intermediate Similarity 0.7153 NPC116562
Intermediate Similarity 0.7143 NPC281020
Intermediate Similarity 0.7143 NPC131192
Intermediate Similarity 0.7143 NPC109637
Intermediate Similarity 0.7143 NPC33717
Intermediate Similarity 0.7133 NPC307289
Intermediate Similarity 0.7132 NPC326187
Intermediate Similarity 0.7132 NPC149545
Intermediate Similarity 0.7122 NPC165556
Intermediate Similarity 0.7122 NPC4164
Intermediate Similarity 0.7122 NPC88403
Intermediate Similarity 0.7113 NPC183348
Intermediate Similarity 0.7113 NPC475102
Intermediate Similarity 0.7113 NPC327457
Intermediate Similarity 0.7113 NPC282230
Intermediate Similarity 0.7113 NPC86774
Intermediate Similarity 0.7111 NPC299406
Intermediate Similarity 0.7101 NPC320287
Intermediate Similarity 0.7101 NPC141252
Intermediate Similarity 0.7101 NPC11799
Intermediate Similarity 0.7099 NPC48525
Intermediate Similarity 0.7099 NPC199462
Intermediate Similarity 0.7097 NPC280869
Intermediate Similarity 0.709 NPC142042
Intermediate Similarity 0.7087 NPC227255
Intermediate Similarity 0.7081 NPC49315
Intermediate Similarity 0.7077 NPC141068
Intermediate Similarity 0.7068 NPC188907
Intermediate Similarity 0.7063 NPC13426
Intermediate Similarity 0.7063 NPC15083
Intermediate Similarity 0.7063 NPC196979
Intermediate Similarity 0.7063 NPC304638
Intermediate Similarity 0.7063 NPC291426
Intermediate Similarity 0.7063 NPC470976
Intermediate Similarity 0.7063 NPC305205
Intermediate Similarity 0.7063 NPC470977
Intermediate Similarity 0.7055 NPC223616
Intermediate Similarity 0.7054 NPC206341
Intermediate Similarity 0.705 NPC184219
Intermediate Similarity 0.7037 NPC159916
Intermediate Similarity 0.7037 NPC94637
Intermediate Similarity 0.7025 NPC321956
Intermediate Similarity 0.7023 NPC245552
Intermediate Similarity 0.7021 NPC22783
Intermediate Similarity 0.7021 NPC37512
Intermediate Similarity 0.7021 NPC161322
Intermediate Similarity 0.7021 NPC121104
Intermediate Similarity 0.7016 NPC95755
Intermediate Similarity 0.7016 NPC260000
Intermediate Similarity 0.7015 NPC316062
Intermediate Similarity 0.7014 NPC175159
Intermediate Similarity 0.7014 NPC269421
Intermediate Similarity 0.7007 NPC471069
Intermediate Similarity 0.7007 NPC471068
Intermediate Similarity 0.7 NPC298401
Intermediate Similarity 0.7 NPC3221
Intermediate Similarity 0.7 NPC173608
Intermediate Similarity 0.7 NPC470858
Remote Similarity 0.6992 NPC81808
Remote Similarity 0.6986 NPC475011
Remote Similarity 0.6986 NPC475029
Remote Similarity 0.6986 NPC476018
Remote Similarity 0.6985 NPC328459
Remote Similarity 0.6985 NPC90522
Remote Similarity 0.6985 NPC234956
Remote Similarity 0.6985 NPC37858
Remote Similarity 0.6978 NPC93730
Remote Similarity 0.6978 NPC244876
Remote Similarity 0.6977 NPC251306
Remote Similarity 0.6977 NPC194034
Remote Similarity 0.6972 NPC226661
Remote Similarity 0.697 NPC134413
Remote Similarity 0.697 NPC271958
Remote Similarity 0.697 NPC263507
Remote Similarity 0.697 NPC45112
Remote Similarity 0.6966 NPC475468
Remote Similarity 0.6966 NPC129889
Remote Similarity 0.6966 NPC307006
Remote Similarity 0.6963 NPC469954
Remote Similarity 0.6963 NPC183154
Remote Similarity 0.6963 NPC263754
Remote Similarity 0.696 NPC471576
Remote Similarity 0.6959 NPC471071
Remote Similarity 0.6959 NPC471070

Drug Structure

External Identifiers

TTD   DIB013471
DrugBank   DB13167
ChEMBL   CHEMBL94081
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D01252
PubChem CID  
ChEBI   31183
CAS Number  22131-79-9

Drug Properties

Molecular Weight  226.04
ALogP  1.1043
MLogP  2.23
XLogP  2.292
HDA  2
HBD  1
Rotatable Bonds  7
TPSA  46.53
RO5 Violation  0