Drug Information

Drug ID:  NPD2934
Drug Name:  Diethylstilbestrol
Molecular Formula:  C18H20O2
Canonical SMILES:  CC/C(=C(c1ccc(cc1)O)/CC)/c1ccc(cc1)O
Standard InCHI:  InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
Standard InCHIKey:  RGLYKWWBQGJZGM-ISLYRVAYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD2934

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 0.9888 NPC26244
High Similarity 0.9778 NPC473388
High Similarity 0.9775 NPC151715
High Similarity 0.9551 NPC45040
High Similarity 0.9545 NPC280347
High Similarity 0.9545 NPC177420
High Similarity 0.9438 NPC55561
High Similarity 0.9432 NPC113460
High Similarity 0.9432 NPC25493
High Similarity 0.9355 NPC51333
High Similarity 0.9355 NPC132078
High Similarity 0.9355 NPC78119
High Similarity 0.9355 NPC216468
High Similarity 0.9355 NPC92730
High Similarity 0.9348 NPC132271
High Similarity 0.9348 NPC216520
High Similarity 0.9348 NPC82664
High Similarity 0.9348 NPC292730
High Similarity 0.9341 NPC128062
High Similarity 0.9326 NPC242240
High Similarity 0.9326 NPC318325
High Similarity 0.9326 NPC123273
High Similarity 0.9318 NPC23167
High Similarity 0.9255 NPC213730
High Similarity 0.9247 NPC225464
High Similarity 0.9239 NPC274678
High Similarity 0.9205 NPC197783
High Similarity 0.9158 NPC7686
High Similarity 0.9158 NPC40258
High Similarity 0.9158 NPC91461
High Similarity 0.913 NPC76938
High Similarity 0.9121 NPC270547
High Similarity 0.9111 NPC258219
High Similarity 0.9111 NPC98772
High Similarity 0.9101 NPC184169
High Similarity 0.9091 NPC175313
High Similarity 0.9091 NPC248817
High Similarity 0.9072 NPC138942
High Similarity 0.9072 NPC233396
High Similarity 0.9072 NPC154899
High Similarity 0.9062 NPC168829
High Similarity 0.9043 NPC201967
High Similarity 0.9032 NPC32714
High Similarity 0.9022 NPC325292
High Similarity 0.9022 NPC138117
High Similarity 0.9011 NPC300017
High Similarity 0.898 NPC113457
High Similarity 0.898 NPC135464
High Similarity 0.898 NPC92623
High Similarity 0.8977 NPC265146
High Similarity 0.8977 NPC124436
High Similarity 0.8969 NPC288411
High Similarity 0.8969 NPC8931
High Similarity 0.8969 NPC120693
High Similarity 0.8969 NPC261573
High Similarity 0.8947 NPC130193
High Similarity 0.8925 NPC27323
High Similarity 0.8925 NPC316301
High Similarity 0.8913 NPC304541
High Similarity 0.8889 NPC407
High Similarity 0.8889 NPC307235
High Similarity 0.8878 NPC474839
High Similarity 0.8866 NPC135784
High Similarity 0.8854 NPC294741
High Similarity 0.8842 NPC32674
High Similarity 0.883 NPC313650
High Similarity 0.8817 NPC94139
High Similarity 0.8817 NPC147284
High Similarity 0.8817 NPC162314
High Similarity 0.8817 NPC271440
High Similarity 0.8817 NPC3358
High Similarity 0.8817 NPC210497
High Similarity 0.8817 NPC306884
High Similarity 0.8804 NPC192
High Similarity 0.88 NPC61885
High Similarity 0.88 NPC63698
High Similarity 0.88 NPC11554
High Similarity 0.8791 NPC27974
High Similarity 0.8791 NPC104216
High Similarity 0.8788 NPC70843
High Similarity 0.8788 NPC29989
High Similarity 0.8788 NPC271274
High Similarity 0.8788 NPC69332
High Similarity 0.8788 NPC95178
High Similarity 0.8788 NPC188677
High Similarity 0.8778 NPC155393
High Similarity 0.8776 NPC119860
High Similarity 0.875 NPC128723
High Similarity 0.8713 NPC254833
High Similarity 0.8713 NPC228343
High Similarity 0.871 NPC204210
High Similarity 0.871 NPC155908
High Similarity 0.8687 NPC219286
High Similarity 0.8687 NPC99557
High Similarity 0.8673 NPC196479
High Similarity 0.8673 NPC68269
High Similarity 0.8667 NPC286904
High Similarity 0.866 NPC225506
High Similarity 0.8646 NPC260000
High Similarity 0.8646 NPC152097
High Similarity 0.8646 NPC77492
High Similarity 0.8632 NPC8392
High Similarity 0.8627 NPC296683
High Similarity 0.8627 NPC63345
High Similarity 0.8617 NPC181709
High Similarity 0.8614 NPC75440
High Similarity 0.8614 NPC262365
High Similarity 0.8614 NPC201959
High Similarity 0.8602 NPC300478
High Similarity 0.8586 NPC241891
High Similarity 0.8586 NPC323810
High Similarity 0.8586 NPC471511
High Similarity 0.8586 NPC30506
High Similarity 0.8571 NPC51015
High Similarity 0.8557 NPC275104
High Similarity 0.8557 NPC260775
High Similarity 0.8557 NPC280869
High Similarity 0.8557 NPC80027
High Similarity 0.8557 NPC122005
High Similarity 0.8557 NPC252821
High Similarity 0.8544 NPC225679
High Similarity 0.8544 NPC476632
High Similarity 0.8544 NPC95716
High Similarity 0.8544 NPC165770
High Similarity 0.8544 NPC4493
High Similarity 0.8529 NPC88141
High Similarity 0.8529 NPC265211
High Similarity 0.8529 NPC306045
High Similarity 0.8529 NPC62258
High Similarity 0.8529 NPC55617
High Similarity 0.8526 NPC152415
High Similarity 0.8511 NPC306074
High Similarity 0.85 NPC134829
High Similarity 0.85 NPC239291
Intermediate Similarity 0.8495 NPC70436
Intermediate Similarity 0.8469 NPC248573
Intermediate Similarity 0.8469 NPC248396
Intermediate Similarity 0.8469 NPC48730
Intermediate Similarity 0.8469 NPC275053
Intermediate Similarity 0.8469 NPC70677
Intermediate Similarity 0.8469 NPC161571
Intermediate Similarity 0.8469 NPC12931
Intermediate Similarity 0.8469 NPC129373
Intermediate Similarity 0.8469 NPC130756
Intermediate Similarity 0.8469 NPC223393
Intermediate Similarity 0.8469 NPC166761
Intermediate Similarity 0.8462 NPC43525
Intermediate Similarity 0.8462 NPC150837
Intermediate Similarity 0.8462 NPC46940
Intermediate Similarity 0.8462 NPC166995
Intermediate Similarity 0.8454 NPC475078
Intermediate Similarity 0.8454 NPC156313
Intermediate Similarity 0.8454 NPC109955
Intermediate Similarity 0.8454 NPC474073
Intermediate Similarity 0.8454 NPC107619
Intermediate Similarity 0.8447 NPC174096
Intermediate Similarity 0.8447 NPC321252
Intermediate Similarity 0.8447 NPC147634
Intermediate Similarity 0.8447 NPC226401
Intermediate Similarity 0.8447 NPC183700
Intermediate Similarity 0.8447 NPC44732
Intermediate Similarity 0.8447 NPC252544
Intermediate Similarity 0.8447 NPC120982
Intermediate Similarity 0.8447 NPC475018
Intermediate Similarity 0.8447 NPC79793
Intermediate Similarity 0.8438 NPC144682
Intermediate Similarity 0.8431 NPC24101
Intermediate Similarity 0.8431 NPC96224
Intermediate Similarity 0.8421 NPC55903
Intermediate Similarity 0.8416 NPC39097
Intermediate Similarity 0.8416 NPC302681
Intermediate Similarity 0.8416 NPC248904
Intermediate Similarity 0.8416 NPC477814
Intermediate Similarity 0.8416 NPC54765
Intermediate Similarity 0.8416 NPC39664
Intermediate Similarity 0.8416 NPC118286
Intermediate Similarity 0.8416 NPC109691
Intermediate Similarity 0.8416 NPC470700
Intermediate Similarity 0.84 NPC327811
Intermediate Similarity 0.84 NPC254965
Intermediate Similarity 0.84 NPC474603
Intermediate Similarity 0.84 NPC12987
Intermediate Similarity 0.8384 NPC471578
Intermediate Similarity 0.8384 NPC101025
Intermediate Similarity 0.8384 NPC12221
Intermediate Similarity 0.8384 NPC143659
Intermediate Similarity 0.8384 NPC100340
Intermediate Similarity 0.8384 NPC472585
Intermediate Similarity 0.8381 NPC141003
Intermediate Similarity 0.8381 NPC176730
Intermediate Similarity 0.8381 NPC35344
Intermediate Similarity 0.8381 NPC117846
Intermediate Similarity 0.8381 NPC123175
Intermediate Similarity 0.8367 NPC245561
Intermediate Similarity 0.8365 NPC179002
Intermediate Similarity 0.8365 NPC297657
Intermediate Similarity 0.8365 NPC257430
Intermediate Similarity 0.8365 NPC177576
Intermediate Similarity 0.8365 NPC187583
Intermediate Similarity 0.8365 NPC308689

Drug Structure

External Identifiers

TTD   DAP001011
DrugBank  
ChEMBL  
IUPHAR/BPS   2801
PharmaGKB  
KEGG Drug  
PubChem CID   448537
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  268.15
ALogP  -0.2302
MLogP  3.22
XLogP  5.662
HDA  0
HBD  2
Rotatable Bonds  8
TPSA  40.46
RO5 Violation  1