Drug Information

Drug ID:  NPD769
Drug Name:  Clofibrate
Molecular Formula:  C12H15ClO3
Canonical SMILES:  CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C
Standard InCHI:  InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
Standard InCHIKey:  KNHUKKLJHYUCFP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD769

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 0.9018 NPC161768
High Similarity 0.8609 NPC204617
Intermediate Similarity 0.8318 NPC132725
Intermediate Similarity 0.8108 NPC17537
Intermediate Similarity 0.7544 NPC283546
Intermediate Similarity 0.752 NPC151237
Intermediate Similarity 0.75 NPC318429
Intermediate Similarity 0.7481 NPC66643
Intermediate Similarity 0.7478 NPC128730
Intermediate Similarity 0.7478 NPC473855
Intermediate Similarity 0.7434 NPC107101
Intermediate Similarity 0.7414 NPC176971
Intermediate Similarity 0.7381 NPC90577
Intermediate Similarity 0.7368 NPC307425
Intermediate Similarity 0.735 NPC157473
Intermediate Similarity 0.735 NPC151530
Intermediate Similarity 0.7345 NPC307039
Intermediate Similarity 0.7328 NPC238115
Intermediate Similarity 0.7304 NPC179686
Intermediate Similarity 0.7288 NPC291837
Intermediate Similarity 0.725 NPC245552
Intermediate Similarity 0.7244 NPC27198
Intermediate Similarity 0.7222 NPC206876
Intermediate Similarity 0.7218 NPC273984
Intermediate Similarity 0.7179 NPC473393
Intermediate Similarity 0.7167 NPC25067
Intermediate Similarity 0.7167 NPC231251
Intermediate Similarity 0.7167 NPC88868
Intermediate Similarity 0.7131 NPC303522
Intermediate Similarity 0.712 NPC159916
Intermediate Similarity 0.7119 NPC326447
Intermediate Similarity 0.7115 NPC124576
Intermediate Similarity 0.7103 NPC125306
Intermediate Similarity 0.7103 NPC23837
Intermediate Similarity 0.7094 NPC109637
Intermediate Similarity 0.7083 NPC259554
Intermediate Similarity 0.7083 NPC149545
Intermediate Similarity 0.7049 NPC266116
Intermediate Similarity 0.7043 NPC314803
Remote Similarity 0.6984 NPC101503
Remote Similarity 0.6975 NPC1065
Remote Similarity 0.6975 NPC41594
Remote Similarity 0.6953 NPC205213
Remote Similarity 0.6949 NPC2518
Remote Similarity 0.6935 NPC235250
Remote Similarity 0.6929 NPC37858
Remote Similarity 0.6923 NPC21238
Remote Similarity 0.6923 NPC51633
Remote Similarity 0.6923 NPC320287
Remote Similarity 0.6917 NPC258171
Remote Similarity 0.6917 NPC194034
Remote Similarity 0.6899 NPC14287
Remote Similarity 0.6897 NPC471576
Remote Similarity 0.6891 NPC288760
Remote Similarity 0.6891 NPC139891
Remote Similarity 0.6891 NPC227255
Remote Similarity 0.6889 NPC11173
Remote Similarity 0.6885 NPC46844
Remote Similarity 0.6885 NPC229387
Remote Similarity 0.6864 NPC192596
Remote Similarity 0.685 NPC124916
Remote Similarity 0.685 NPC293424
Remote Similarity 0.6838 NPC13755
Remote Similarity 0.6829 NPC233238
Remote Similarity 0.6822 NPC267064
Remote Similarity 0.6818 NPC52035
Remote Similarity 0.6818 NPC170749
Remote Similarity 0.681 NPC95755
Remote Similarity 0.681 NPC313918
Remote Similarity 0.681 NPC175298
Remote Similarity 0.6807 NPC38079
Remote Similarity 0.6807 NPC108875
Remote Similarity 0.6803 NPC234639
Remote Similarity 0.68 NPC87563
Remote Similarity 0.6797 NPC98748
Remote Similarity 0.6797 NPC234956
Remote Similarity 0.6789 NPC38459
Remote Similarity 0.6786 NPC177844
Remote Similarity 0.6786 NPC86087
Remote Similarity 0.6786 NPC259134
Remote Similarity 0.6786 NPC302546
Remote Similarity 0.6786 NPC99886
Remote Similarity 0.6786 NPC8002
Remote Similarity 0.678 NPC84325
Remote Similarity 0.6774 NPC280760
Remote Similarity 0.6767 NPC329272
Remote Similarity 0.6757 NPC282294
Remote Similarity 0.6752 NPC171843
Remote Similarity 0.675 NPC470393
Remote Similarity 0.6744 NPC31314
Remote Similarity 0.6744 NPC193193
Remote Similarity 0.6726 NPC71853
Remote Similarity 0.6724 NPC325499
Remote Similarity 0.6723 NPC298224
Remote Similarity 0.672 NPC90903
Remote Similarity 0.6719 NPC277460
Remote Similarity 0.6719 NPC152159
Remote Similarity 0.6696 NPC47422
Remote Similarity 0.6696 NPC114325
Remote Similarity 0.6696 NPC157213
Remote Similarity 0.6694 NPC55300
Remote Similarity 0.6693 NPC33717
Remote Similarity 0.6693 NPC128633
Remote Similarity 0.6693 NPC470860
Remote Similarity 0.6692 NPC322569
Remote Similarity 0.6667 NPC321956
Remote Similarity 0.6667 NPC38209
Remote Similarity 0.6667 NPC294941
Remote Similarity 0.6667 NPC252004
Remote Similarity 0.6667 NPC292036
Remote Similarity 0.6667 NPC281356
Remote Similarity 0.6667 NPC279379
Remote Similarity 0.6643 NPC182475
Remote Similarity 0.6642 NPC127604
Remote Similarity 0.6641 NPC272487
Remote Similarity 0.6641 NPC217423
Remote Similarity 0.6641 NPC45104
Remote Similarity 0.664 NPC165646
Remote Similarity 0.664 NPC115379
Remote Similarity 0.6639 NPC310905
Remote Similarity 0.6639 NPC12714
Remote Similarity 0.6617 NPC235370
Remote Similarity 0.6615 NPC202474
Remote Similarity 0.6615 NPC471504
Remote Similarity 0.6615 NPC473290
Remote Similarity 0.6615 NPC230951
Remote Similarity 0.6614 NPC51345
Remote Similarity 0.6613 NPC141068
Remote Similarity 0.6613 NPC473809
Remote Similarity 0.6613 NPC179309
Remote Similarity 0.6612 NPC8302
Remote Similarity 0.661 NPC100870
Remote Similarity 0.6591 NPC69403
Remote Similarity 0.6591 NPC291189
Remote Similarity 0.6589 NPC265547
Remote Similarity 0.6589 NPC205502
Remote Similarity 0.6589 NPC96705
Remote Similarity 0.6587 NPC109241
Remote Similarity 0.6583 NPC304638
Remote Similarity 0.6565 NPC163200
Remote Similarity 0.6565 NPC235190
Remote Similarity 0.6565 NPC204466
Remote Similarity 0.6565 NPC180006
Remote Similarity 0.6562 NPC290470
Remote Similarity 0.6562 NPC154256
Remote Similarity 0.6557 NPC473653
Remote Similarity 0.6552 NPC471581
Remote Similarity 0.6547 NPC2363
Remote Similarity 0.6544 NPC110313
Remote Similarity 0.6541 NPC470887
Remote Similarity 0.6538 NPC298796
Remote Similarity 0.6529 NPC292792
Remote Similarity 0.6519 NPC8058
Remote Similarity 0.6519 NPC233559
Remote Similarity 0.6518 NPC89377
Remote Similarity 0.6515 NPC114845
Remote Similarity 0.6515 NPC70752
Remote Similarity 0.6515 NPC193484
Remote Similarity 0.6512 NPC471498
Remote Similarity 0.6512 NPC263754
Remote Similarity 0.6512 NPC471503
Remote Similarity 0.6512 NPC212643
Remote Similarity 0.6512 NPC199209
Remote Similarity 0.6512 NPC183154
Remote Similarity 0.6508 NPC199462
Remote Similarity 0.6508 NPC48525
Remote Similarity 0.6504 NPC227894
Remote Similarity 0.6493 NPC221798
Remote Similarity 0.6489 NPC2058
Remote Similarity 0.6489 NPC474874
Remote Similarity 0.6486 NPC33756
Remote Similarity 0.6486 NPC58616
Remote Similarity 0.6484 NPC188907
Remote Similarity 0.6484 NPC322358
Remote Similarity 0.6484 NPC220540
Remote Similarity 0.6484 NPC296526
Remote Similarity 0.648 NPC106141
Remote Similarity 0.6475 NPC127676
Remote Similarity 0.6471 NPC473993
Remote Similarity 0.6471 NPC140750
Remote Similarity 0.6466 NPC288238
Remote Similarity 0.6462 NPC107588
Remote Similarity 0.6462 NPC152306
Remote Similarity 0.6462 NPC164706
Remote Similarity 0.6462 NPC137537
Remote Similarity 0.6462 NPC272471
Remote Similarity 0.6462 NPC70744
Remote Similarity 0.646 NPC304760
Remote Similarity 0.6457 NPC311987
Remote Similarity 0.6457 NPC301735
Remote Similarity 0.6454 NPC320259
Remote Similarity 0.6446 NPC305205
Remote Similarity 0.6444 NPC165556
Remote Similarity 0.6444 NPC280767
Remote Similarity 0.6439 NPC471877
Remote Similarity 0.6434 NPC328451
Remote Similarity 0.6434 NPC316062
Remote Similarity 0.6434 NPC268317
Remote Similarity 0.6429 NPC222036
Remote Similarity 0.6429 NPC54626

Drug Structure

External Identifiers

TTD   DAP000262
DrugBank   DB00636
ChEMBL   CHEMBL565
IUPHAR/BPS   2667
PharmaGKB   PA449045
KEGG Drug   D00279
PubChem CID   2796
ChEBI   3750
CAS Number  637-07-0

Drug Properties

Molecular Weight  242.07
ALogP  1.4459
MLogP  2.34
XLogP  3.21
HDA  2
HBD  0
Rotatable Bonds  9
TPSA  35.53
RO5 Violation  0