Drug Information

Drug ID:  NPD3797
Drug Name:  Sulindac
Molecular Formula:  C20H17FO3S
Canonical SMILES:  OC(=O)CC1=C(C)/C(=C/c2ccc(cc2)S(=O)C)/c2c1cc(F)cc2
Standard InCHI:  InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
Standard InCHIKey:  MLKXDPUZXIRXEP-MFOYZWKCSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD3797

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
Intermediate Similarity 0.7328 NPC264728
Intermediate Similarity 0.7193 NPC172925
Intermediate Similarity 0.7155 NPC120393
Intermediate Similarity 0.713 NPC469893
Intermediate Similarity 0.708 NPC86987
Intermediate Similarity 0.7069 NPC469892
Intermediate Similarity 0.7069 NPC469890
Intermediate Similarity 0.7069 NPC469891
Intermediate Similarity 0.7034 NPC133809
Intermediate Similarity 0.7034 NPC128248
Intermediate Similarity 0.7034 NPC225079
Intermediate Similarity 0.7034 NPC136810
Remote Similarity 0.6983 NPC261947
Remote Similarity 0.6972 NPC44830
Remote Similarity 0.6885 NPC142326
Remote Similarity 0.6885 NPC94751
Remote Similarity 0.6885 NPC244933
Remote Similarity 0.6885 NPC85560
Remote Similarity 0.6875 NPC322387
Remote Similarity 0.6852 NPC127343
Remote Similarity 0.6842 NPC86670
Remote Similarity 0.6842 NPC70940
Remote Similarity 0.6842 NPC274455
Remote Similarity 0.6818 NPC285773
Remote Similarity 0.6814 NPC329064
Remote Similarity 0.6807 NPC7435
Remote Similarity 0.678 NPC226041
Remote Similarity 0.6777 NPC329556
Remote Similarity 0.6777 NPC255676
Remote Similarity 0.6754 NPC9822
Remote Similarity 0.6748 NPC37914
Remote Similarity 0.6667 NPC95126
Remote Similarity 0.6667 NPC9274
Remote Similarity 0.6667 NPC475002
Remote Similarity 0.6667 NPC221825
Remote Similarity 0.6614 NPC66208
Remote Similarity 0.6585 NPC329282
Remote Similarity 0.6583 NPC271475
Remote Similarity 0.6583 NPC229242
Remote Similarity 0.6549 NPC95965
Remote Similarity 0.6532 NPC471186
Remote Similarity 0.6532 NPC105899
Remote Similarity 0.6518 NPC288903
Remote Similarity 0.6508 NPC318327
Remote Similarity 0.65 NPC477767
Remote Similarity 0.6496 NPC141607
Remote Similarity 0.6496 NPC187725
Remote Similarity 0.6475 NPC94487
Remote Similarity 0.6462 NPC221275
Remote Similarity 0.646 NPC267704
Remote Similarity 0.6434 NPC93287
Remote Similarity 0.6434 NPC206414
Remote Similarity 0.6434 NPC242957
Remote Similarity 0.6434 NPC306977
Remote Similarity 0.6434 NPC287055
Remote Similarity 0.6429 NPC249811
Remote Similarity 0.6423 NPC474820
Remote Similarity 0.6423 NPC475978
Remote Similarity 0.641 NPC84288
Remote Similarity 0.6404 NPC294134
Remote Similarity 0.64 NPC321670
Remote Similarity 0.6387 NPC34243
Remote Similarity 0.6385 NPC471721
Remote Similarity 0.6379 NPC477693
Remote Similarity 0.6379 NPC477704
Remote Similarity 0.6371 NPC247976
Remote Similarity 0.6364 NPC270654
Remote Similarity 0.6364 NPC212891
Remote Similarity 0.6364 NPC289201
Remote Similarity 0.6356 NPC317645
Remote Similarity 0.6349 NPC185763
Remote Similarity 0.6349 NPC83409
Remote Similarity 0.6336 NPC186933
Remote Similarity 0.6333 NPC206764
Remote Similarity 0.6325 NPC231591
Remote Similarity 0.632 NPC472222
Remote Similarity 0.632 NPC472221
Remote Similarity 0.6316 NPC45794
Remote Similarity 0.6299 NPC112903
Remote Similarity 0.6299 NPC156648
Remote Similarity 0.6299 NPC21929
Remote Similarity 0.629 NPC304873
Remote Similarity 0.629 NPC284477
Remote Similarity 0.6283 NPC323103
Remote Similarity 0.627 NPC134120
Remote Similarity 0.6261 NPC475710
Remote Similarity 0.626 NPC476042
Remote Similarity 0.626 NPC217621
Remote Similarity 0.626 NPC294458
Remote Similarity 0.625 NPC281604
Remote Similarity 0.6241 NPC471925
Remote Similarity 0.6241 NPC471928
Remote Similarity 0.6241 NPC471924
Remote Similarity 0.6231 NPC471189
Remote Similarity 0.6231 NPC471188
Remote Similarity 0.623 NPC253423
Remote Similarity 0.6228 NPC270507
Remote Similarity 0.6222 NPC79933
Remote Similarity 0.6222 NPC31296
Remote Similarity 0.6222 NPC42657
Remote Similarity 0.6222 NPC473974
Remote Similarity 0.6222 NPC258366
Remote Similarity 0.622 NPC100767
Remote Similarity 0.6218 NPC110704
Remote Similarity 0.6212 NPC476357
Remote Similarity 0.621 NPC469481
Remote Similarity 0.621 NPC282895
Remote Similarity 0.6194 NPC325295
Remote Similarity 0.6194 NPC471926
Remote Similarity 0.6194 NPC76308
Remote Similarity 0.619 NPC19136
Remote Similarity 0.6183 NPC477475
Remote Similarity 0.6183 NPC477476
Remote Similarity 0.6176 NPC183339
Remote Similarity 0.6176 NPC234337
Remote Similarity 0.6176 NPC133389
Remote Similarity 0.6176 NPC470585
Remote Similarity 0.6167 NPC323164
Remote Similarity 0.6161 NPC272260
Remote Similarity 0.616 NPC244427
Remote Similarity 0.616 NPC320891
Remote Similarity 0.616 NPC222390
Remote Similarity 0.616 NPC25458
Remote Similarity 0.6154 NPC265513
Remote Similarity 0.6154 NPC246913
Remote Similarity 0.6148 NPC328694
Remote Similarity 0.6142 NPC474307
Remote Similarity 0.614 NPC103387
Remote Similarity 0.6136 NPC153053
Remote Similarity 0.6134 NPC185501
Remote Similarity 0.6131 NPC241001
Remote Similarity 0.6126 NPC9796
Remote Similarity 0.6124 NPC475006
Remote Similarity 0.6124 NPC85493
Remote Similarity 0.6121 NPC123476
Remote Similarity 0.6119 NPC158157
Remote Similarity 0.6116 NPC261181
Remote Similarity 0.6115 NPC318067
Remote Similarity 0.6111 NPC155429
Remote Similarity 0.6111 NPC274443
Remote Similarity 0.6107 NPC186128
Remote Similarity 0.6107 NPC280789
Remote Similarity 0.6107 NPC321852
Remote Similarity 0.6107 NPC292834
Remote Similarity 0.6106 NPC121800
Remote Similarity 0.6103 NPC202015
Remote Similarity 0.6098 NPC103048
Remote Similarity 0.6098 NPC251579
Remote Similarity 0.6098 NPC324569
Remote Similarity 0.6098 NPC156021
Remote Similarity 0.6098 NPC133135
Remote Similarity 0.6094 NPC193640
Remote Similarity 0.6094 NPC25385
Remote Similarity 0.6094 NPC475905
Remote Similarity 0.6087 NPC369
Remote Similarity 0.6087 NPC269923
Remote Similarity 0.6087 NPC293831
Remote Similarity 0.6087 NPC167323
Remote Similarity 0.608 NPC158623
Remote Similarity 0.6063 NPC269644
Remote Similarity 0.6063 NPC8931
Remote Similarity 0.6063 NPC120693
Remote Similarity 0.6063 NPC261573
Remote Similarity 0.6061 NPC470253
Remote Similarity 0.6061 NPC143768
Remote Similarity 0.6058 NPC478121
Remote Similarity 0.6058 NPC190501
Remote Similarity 0.6058 NPC318552
Remote Similarity 0.6058 NPC243059
Remote Similarity 0.6058 NPC280827
Remote Similarity 0.605 NPC113307
Remote Similarity 0.6048 NPC160548
Remote Similarity 0.6048 NPC175852
Remote Similarity 0.6048 NPC329387
Remote Similarity 0.6048 NPC317280
Remote Similarity 0.6048 NPC145052
Remote Similarity 0.6048 NPC210529
Remote Similarity 0.6047 NPC211439
Remote Similarity 0.6043 NPC121168
Remote Similarity 0.6043 NPC244351
Remote Similarity 0.6043 NPC108286
Remote Similarity 0.6033 NPC314690
Remote Similarity 0.6032 NPC474112
Remote Similarity 0.6031 NPC133308
Remote Similarity 0.6031 NPC319579
Remote Similarity 0.6031 NPC260818
Remote Similarity 0.6031 NPC474057
Remote Similarity 0.6029 NPC472697
Remote Similarity 0.6029 NPC318173
Remote Similarity 0.6029 NPC472698
Remote Similarity 0.6028 NPC9180
Remote Similarity 0.6028 NPC100402
Remote Similarity 0.6018 NPC151405
Remote Similarity 0.6018 NPC139901
Remote Similarity 0.6018 NPC170484
Remote Similarity 0.6016 NPC61944
Remote Similarity 0.6016 NPC172483
Remote Similarity 0.6016 NPC209632
Remote Similarity 0.6016 NPC12695
Remote Similarity 0.6015 NPC307651

Drug Structure

External Identifiers

TTD   DAP000569
DrugBank   DB00605
ChEMBL   CHEMBL15770
IUPHAR/BPS   5425
PharmaGKB   PA451565
KEGG Drug   D00120
PubChem CID   1548887
ChEBI   9352
CAS Number  38194-50-2

Drug Properties

Molecular Weight  356.09
ALogP  0.8466
MLogP  3.11
XLogP  4.258
HDA  3
HBD  1
Rotatable Bonds  8
TPSA  73.58
RO5 Violation  0