Drug Information

Drug ID:  NPD2860
Drug Name:  Dienestrol
Molecular Formula:  C18H18O2
Canonical SMILES:  C/C=C(/C(=C/C)/c1ccc(cc1)O)c1ccc(cc1)O
Standard InCHI:  InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+
Standard InCHIKey:  NFDFQCUYFHCNBW-SCGPFSFSSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD2860

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 1.0 NPC26244
High Similarity 0.9889 NPC473388
High Similarity 0.9888 NPC151715
High Similarity 0.9663 NPC45040
High Similarity 0.9462 NPC216468
High Similarity 0.9462 NPC92730
High Similarity 0.9462 NPC51333
High Similarity 0.9462 NPC78119
High Similarity 0.9462 NPC132078
High Similarity 0.9457 NPC292730
High Similarity 0.9457 NPC216520
High Similarity 0.9457 NPC82664
High Similarity 0.9457 NPC132271
High Similarity 0.9451 NPC128062
High Similarity 0.9438 NPC280347
High Similarity 0.9438 NPC177420
High Similarity 0.9438 NPC123273
High Similarity 0.9438 NPC318325
High Similarity 0.9438 NPC242240
High Similarity 0.9362 NPC213730
High Similarity 0.9355 NPC225464
High Similarity 0.9348 NPC274678
High Similarity 0.9333 NPC55561
High Similarity 0.9326 NPC25493
High Similarity 0.9326 NPC113460
High Similarity 0.9263 NPC40258
High Similarity 0.9263 NPC91461
High Similarity 0.9263 NPC7686
High Similarity 0.9239 NPC76938
High Similarity 0.9222 NPC258219
High Similarity 0.9213 NPC23167
High Similarity 0.9175 NPC154899
High Similarity 0.9175 NPC233396
High Similarity 0.9175 NPC138942
High Similarity 0.9167 NPC168829
High Similarity 0.914 NPC32714
High Similarity 0.9101 NPC197783
High Similarity 0.9082 NPC113457
High Similarity 0.9082 NPC92623
High Similarity 0.9082 NPC135464
High Similarity 0.9072 NPC8931
High Similarity 0.9072 NPC261573
High Similarity 0.9072 NPC120693
High Similarity 0.9072 NPC288411
High Similarity 0.9032 NPC27323
High Similarity 0.9032 NPC316301
High Similarity 0.9022 NPC270547
High Similarity 0.9022 NPC304541
High Similarity 0.9011 NPC98772
High Similarity 0.9 NPC184169
High Similarity 0.8989 NPC175313
High Similarity 0.8989 NPC248817
High Similarity 0.898 NPC474839
High Similarity 0.8969 NPC135784
High Similarity 0.8958 NPC294741
High Similarity 0.8947 NPC201967
High Similarity 0.8925 NPC162314
High Similarity 0.8925 NPC138117
High Similarity 0.8925 NPC325292
High Similarity 0.8925 NPC210497
High Similarity 0.8925 NPC306884
High Similarity 0.8925 NPC147284
High Similarity 0.8925 NPC3358
High Similarity 0.8925 NPC271440
High Similarity 0.8925 NPC94139
High Similarity 0.8913 NPC300017
High Similarity 0.8913 NPC192
High Similarity 0.89 NPC61885
High Similarity 0.89 NPC63698
High Similarity 0.89 NPC11554
High Similarity 0.8889 NPC188677
High Similarity 0.8889 NPC271274
High Similarity 0.8878 NPC119860
High Similarity 0.8876 NPC124436
High Similarity 0.8876 NPC265146
High Similarity 0.8854 NPC128723
High Similarity 0.8854 NPC130193
High Similarity 0.8817 NPC204210
High Similarity 0.8817 NPC155908
High Similarity 0.8812 NPC254833
High Similarity 0.8812 NPC228343
High Similarity 0.8791 NPC307235
High Similarity 0.8791 NPC407
High Similarity 0.8788 NPC99557
High Similarity 0.8788 NPC219286
High Similarity 0.8763 NPC225506
High Similarity 0.875 NPC32674
High Similarity 0.875 NPC77492
High Similarity 0.8737 NPC8392
High Similarity 0.8737 NPC313650
High Similarity 0.8725 NPC63345
High Similarity 0.8725 NPC296683
High Similarity 0.8713 NPC75440
High Similarity 0.8713 NPC262365
High Similarity 0.8713 NPC201959
High Similarity 0.87 NPC69332
High Similarity 0.87 NPC29989
High Similarity 0.87 NPC70843
High Similarity 0.87 NPC95178
High Similarity 0.8696 NPC104216
High Similarity 0.8696 NPC27974
High Similarity 0.8687 NPC323810
High Similarity 0.8687 NPC30506
High Similarity 0.8687 NPC241891
High Similarity 0.8687 NPC471511
High Similarity 0.8681 NPC155393
High Similarity 0.8673 NPC51015
High Similarity 0.866 NPC252821
High Similarity 0.866 NPC122005
High Similarity 0.8641 NPC225679
High Similarity 0.8641 NPC95716
High Similarity 0.8641 NPC165770
High Similarity 0.8641 NPC4493
High Similarity 0.8641 NPC476632
High Similarity 0.8632 NPC152415
High Similarity 0.8627 NPC88141
High Similarity 0.8627 NPC62258
High Similarity 0.8627 NPC265211
High Similarity 0.8627 NPC55617
High Similarity 0.8627 NPC306045
High Similarity 0.8617 NPC306074
High Similarity 0.8602 NPC70436
High Similarity 0.86 NPC134829
High Similarity 0.86 NPC239291
High Similarity 0.8586 NPC68269
High Similarity 0.8586 NPC196479
High Similarity 0.8571 NPC129373
High Similarity 0.8571 NPC248396
High Similarity 0.8571 NPC48730
High Similarity 0.8571 NPC286904
High Similarity 0.8558 NPC46940
High Similarity 0.8558 NPC166995
High Similarity 0.8558 NPC43525
High Similarity 0.8557 NPC152097
High Similarity 0.8557 NPC260000
High Similarity 0.8557 NPC474073
High Similarity 0.8544 NPC475018
High Similarity 0.8544 NPC79793
High Similarity 0.8544 NPC147634
High Similarity 0.8544 NPC44732
High Similarity 0.8544 NPC252544
High Similarity 0.8544 NPC120982
High Similarity 0.8544 NPC321252
High Similarity 0.8544 NPC174096
High Similarity 0.8544 NPC226401
High Similarity 0.8542 NPC144682
High Similarity 0.8526 NPC55903
High Similarity 0.8526 NPC181709
High Similarity 0.8515 NPC39097
High Similarity 0.8515 NPC248904
High Similarity 0.8515 NPC39664
High Similarity 0.8515 NPC118286
High Similarity 0.8515 NPC477814
High Similarity 0.8515 NPC54765
High Similarity 0.8515 NPC109691
High Similarity 0.8515 NPC302681
High Similarity 0.8515 NPC470700
High Similarity 0.8511 NPC300478
High Similarity 0.85 NPC327811
High Similarity 0.85 NPC254965
Intermediate Similarity 0.8485 NPC100340
Intermediate Similarity 0.8485 NPC143659
Intermediate Similarity 0.8485 NPC101025
Intermediate Similarity 0.8485 NPC471578
Intermediate Similarity 0.8485 NPC472585
Intermediate Similarity 0.8485 NPC12221
Intermediate Similarity 0.8476 NPC35344
Intermediate Similarity 0.8476 NPC176730
Intermediate Similarity 0.8476 NPC141003
Intermediate Similarity 0.8476 NPC123175
Intermediate Similarity 0.8476 NPC117846
Intermediate Similarity 0.8469 NPC80027
Intermediate Similarity 0.8469 NPC260775
Intermediate Similarity 0.8469 NPC280869
Intermediate Similarity 0.8469 NPC275104
Intermediate Similarity 0.8462 NPC187583
Intermediate Similarity 0.8462 NPC308689
Intermediate Similarity 0.8462 NPC257430
Intermediate Similarity 0.8462 NPC179002
Intermediate Similarity 0.8462 NPC177576
Intermediate Similarity 0.8447 NPC474272
Intermediate Similarity 0.8447 NPC19808
Intermediate Similarity 0.8447 NPC58865
Intermediate Similarity 0.8447 NPC33728
Intermediate Similarity 0.8438 NPC289769
Intermediate Similarity 0.8431 NPC320439
Intermediate Similarity 0.8431 NPC151477
Intermediate Similarity 0.8431 NPC54844
Intermediate Similarity 0.8416 NPC246056
Intermediate Similarity 0.8416 NPC243677
Intermediate Similarity 0.8416 NPC303141
Intermediate Similarity 0.84 NPC24404
Intermediate Similarity 0.84 NPC302219
Intermediate Similarity 0.84 NPC222522
Intermediate Similarity 0.84 NPC94351
Intermediate Similarity 0.84 NPC71002
Intermediate Similarity 0.84 NPC168303
Intermediate Similarity 0.84 NPC53051
Intermediate Similarity 0.84 NPC242342
Intermediate Similarity 0.84 NPC313030

Drug Structure

External Identifiers

TTD   DAP001015
DrugBank  
ChEMBL  
IUPHAR/BPS   7160
PharmaGKB  
KEGG Drug  
PubChem CID   667476
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  266.13
ALogP  0.5028
MLogP  3.22
XLogP  6.088
HDA  0
HBD  2
Rotatable Bonds  7
TPSA  40.46
RO5 Violation  1