Drug Information

Drug ID:  NPD2342
Drug Name:  DuP-654
Molecular Formula:  C17H14O
Canonical SMILES:  Oc1c(ccc2c1cccc2)Cc1ccccc1
Standard InCHI:  InChI=1S/C17H14O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h1-11,18H,12H2
Standard InCHIKey:  CZTSOXCSVFEFIK-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2342

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 0.9608 NPC314187
High Similarity 0.95 NPC238696
High Similarity 0.9429 NPC715
High Similarity 0.9429 NPC322239
High Similarity 0.9333 NPC46940
High Similarity 0.9238 NPC95716
High Similarity 0.9159 NPC195922
High Similarity 0.9159 NPC249270
High Similarity 0.9083 NPC299180
High Similarity 0.9065 NPC321589
High Similarity 0.9048 NPC58865
High Similarity 0.9029 NPC117115
High Similarity 0.9 NPC156313
High Similarity 0.8922 NPC51015
High Similarity 0.8879 NPC260323
High Similarity 0.8879 NPC176279
High Similarity 0.8857 NPC151477
High Similarity 0.8818 NPC261973
High Similarity 0.8796 NPC250323
High Similarity 0.8785 NPC141782
High Similarity 0.8774 NPC11554
High Similarity 0.8762 NPC271274
High Similarity 0.875 NPC176893
High Similarity 0.8727 NPC469719
High Similarity 0.8704 NPC151537
High Similarity 0.8654 NPC168393
High Similarity 0.8654 NPC168829
High Similarity 0.8654 NPC233827
High Similarity 0.8649 NPC92
High Similarity 0.8649 NPC469663
High Similarity 0.8627 NPC32674
High Similarity 0.8611 NPC132720
High Similarity 0.8611 NPC13482
High Similarity 0.86 NPC271440
High Similarity 0.8585 NPC21594
High Similarity 0.8585 NPC54765
High Similarity 0.8571 NPC272029
High Similarity 0.8571 NPC288411
High Similarity 0.8559 NPC192948
High Similarity 0.8559 NPC246760
High Similarity 0.8559 NPC84999
High Similarity 0.8559 NPC35797
High Similarity 0.8532 NPC77772
High Similarity 0.8529 NPC259512
High Similarity 0.8529 NPC312132
High Similarity 0.8515 NPC245187
High Similarity 0.8515 NPC76938
High Similarity 0.8509 NPC103916
Intermediate Similarity 0.8491 NPC138942
Intermediate Similarity 0.8482 NPC477137
Intermediate Similarity 0.8482 NPC219112
Intermediate Similarity 0.8482 NPC38893
Intermediate Similarity 0.8482 NPC471668
Intermediate Similarity 0.8482 NPC308311
Intermediate Similarity 0.8468 NPC268160
Intermediate Similarity 0.8448 NPC71094
Intermediate Similarity 0.8448 NPC176208
Intermediate Similarity 0.8447 NPC6597
Intermediate Similarity 0.8447 NPC79241
Intermediate Similarity 0.844 NPC296683
Intermediate Similarity 0.8431 NPC32714
Intermediate Similarity 0.8426 NPC95344
Intermediate Similarity 0.8411 NPC67250
Intermediate Similarity 0.8407 NPC172219
Intermediate Similarity 0.8407 NPC304510
Intermediate Similarity 0.8407 NPC477136
Intermediate Similarity 0.8396 NPC254965
Intermediate Similarity 0.8396 NPC327811
Intermediate Similarity 0.8393 NPC147179
Intermediate Similarity 0.8381 NPC252105
Intermediate Similarity 0.8381 NPC12221
Intermediate Similarity 0.8378 NPC317869
Intermediate Similarity 0.8365 NPC33675
Intermediate Similarity 0.8365 NPC299762
Intermediate Similarity 0.8364 NPC322753
Intermediate Similarity 0.8364 NPC470770
Intermediate Similarity 0.8364 NPC266937
Intermediate Similarity 0.8333 NPC471671
Intermediate Similarity 0.8333 NPC63010
Intermediate Similarity 0.8319 NPC308828
Intermediate Similarity 0.8317 NPC231150
Intermediate Similarity 0.8304 NPC107240
Intermediate Similarity 0.8304 NPC471534
Intermediate Similarity 0.8288 NPC471179
Intermediate Similarity 0.8288 NPC62867
Intermediate Similarity 0.8288 NPC177962
Intermediate Similarity 0.8288 NPC302371
Intermediate Similarity 0.8286 NPC72729
Intermediate Similarity 0.8261 NPC93071
Intermediate Similarity 0.8261 NPC151197
Intermediate Similarity 0.8261 NPC469644
Intermediate Similarity 0.8261 NPC126002
Intermediate Similarity 0.8257 NPC262365
Intermediate Similarity 0.8257 NPC233835
Intermediate Similarity 0.8252 NPC274678
Intermediate Similarity 0.8246 NPC25648
Intermediate Similarity 0.8246 NPC470760
Intermediate Similarity 0.8246 NPC16030
Intermediate Similarity 0.8218 NPC192
Intermediate Similarity 0.8214 NPC117846
Intermediate Similarity 0.8198 NPC469912
Intermediate Similarity 0.8198 NPC224527
Intermediate Similarity 0.8182 NPC202647
Intermediate Similarity 0.8182 NPC19808
Intermediate Similarity 0.8182 NPC33728
Intermediate Similarity 0.8182 NPC215300
Intermediate Similarity 0.8174 NPC469609
Intermediate Similarity 0.8165 NPC320439
Intermediate Similarity 0.8158 NPC115808
Intermediate Similarity 0.8158 NPC141001
Intermediate Similarity 0.8155 NPC128062
Intermediate Similarity 0.8155 NPC289769
Intermediate Similarity 0.8151 NPC224342
Intermediate Similarity 0.8151 NPC61685
Intermediate Similarity 0.8148 NPC47284
Intermediate Similarity 0.8137 NPC128645
Intermediate Similarity 0.8131 NPC108497
Intermediate Similarity 0.812 NPC277798
Intermediate Similarity 0.812 NPC129176
Intermediate Similarity 0.812 NPC259703
Intermediate Similarity 0.812 NPC100108
Intermediate Similarity 0.812 NPC32322
Intermediate Similarity 0.8113 NPC225506
Intermediate Similarity 0.8113 NPC211885
Intermediate Similarity 0.8113 NPC294741
Intermediate Similarity 0.8113 NPC174911
Intermediate Similarity 0.8108 NPC224870
Intermediate Similarity 0.8108 NPC44732
Intermediate Similarity 0.8099 NPC53781
Intermediate Similarity 0.8095 NPC77492
Intermediate Similarity 0.8091 NPC174981
Intermediate Similarity 0.8077 NPC222146
Intermediate Similarity 0.8077 NPC8392
Intermediate Similarity 0.8073 NPC53740
Intermediate Similarity 0.8058 NPC147284
Intermediate Similarity 0.8058 NPC55903
Intermediate Similarity 0.8058 NPC162314
Intermediate Similarity 0.8058 NPC210497
Intermediate Similarity 0.8058 NPC3358
Intermediate Similarity 0.8058 NPC94139
Intermediate Similarity 0.8058 NPC306884
Intermediate Similarity 0.8056 NPC102216
Intermediate Similarity 0.8056 NPC475225
Intermediate Similarity 0.8056 NPC323810
Intermediate Similarity 0.8056 NPC475580
Intermediate Similarity 0.8053 NPC263753
Intermediate Similarity 0.8051 NPC249340
Intermediate Similarity 0.8051 NPC162935
Intermediate Similarity 0.8037 NPC477685
Intermediate Similarity 0.8036 NPC225679
Intermediate Similarity 0.8036 NPC4493
Intermediate Similarity 0.8036 NPC165770
Intermediate Similarity 0.8036 NPC476632
Intermediate Similarity 0.8036 NPC308689
Intermediate Similarity 0.8034 NPC260832
Intermediate Similarity 0.8034 NPC135467
Intermediate Similarity 0.8034 NPC69006
Intermediate Similarity 0.8033 NPC38017
Intermediate Similarity 0.8033 NPC48248
Intermediate Similarity 0.802 NPC27974
Intermediate Similarity 0.802 NPC19680
Intermediate Similarity 0.8019 NPC252821
Intermediate Similarity 0.8019 NPC122005
Intermediate Similarity 0.8017 NPC154030
Intermediate Similarity 0.8017 NPC328694
Intermediate Similarity 0.8017 NPC206
Intermediate Similarity 0.8 NPC216520
Intermediate Similarity 0.8 NPC142956
Intermediate Similarity 0.8 NPC202986
Intermediate Similarity 0.8 NPC292730
Intermediate Similarity 0.8 NPC173978
Intermediate Similarity 0.8 NPC132271
Intermediate Similarity 0.8 NPC82664
Intermediate Similarity 0.8 NPC155393
Intermediate Similarity 0.7984 NPC72669
Intermediate Similarity 0.7984 NPC474517
Intermediate Similarity 0.7983 NPC297057
Intermediate Similarity 0.7983 NPC11250
Intermediate Similarity 0.7982 NPC99557
Intermediate Similarity 0.7982 NPC243601
Intermediate Similarity 0.7982 NPC219286
Intermediate Similarity 0.7981 NPC152415
Intermediate Similarity 0.7981 NPC151715
Intermediate Similarity 0.7967 NPC276238
Intermediate Similarity 0.7966 NPC241001
Intermediate Similarity 0.7965 NPC43525
Intermediate Similarity 0.7965 NPC166995
Intermediate Similarity 0.7965 NPC228425
Intermediate Similarity 0.7965 NPC286222
Intermediate Similarity 0.7965 NPC228988
Intermediate Similarity 0.7963 NPC235762
Intermediate Similarity 0.7963 NPC269212
Intermediate Similarity 0.7963 NPC471228
Intermediate Similarity 0.7961 NPC306074
Intermediate Similarity 0.7961 NPC45040
Intermediate Similarity 0.7961 NPC204210
Intermediate Similarity 0.7949 NPC121866
Intermediate Similarity 0.7944 NPC248396
Intermediate Similarity 0.7944 NPC129373
Intermediate Similarity 0.7944 NPC48730

Drug Structure

External Identifiers

TTD   DIB014433
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  234.10
ALogP  -0.0041
MLogP  3.22
XLogP  7.297
HDA  0
HBD  1
Rotatable Bonds  3
TPSA  20.23
RO5 Violation  1