Drug Information

Drug ID:  NPD1627
Drug Name:  
Molecular Formula:  C15H15NO2
Canonical SMILES:  CC1=C(Cc2cccnc2)C(=O)C(=C(C1=O)C)C
Standard InCHI:  InChI=1S/C15H15NO2/c1-9-10(2)15(18)13(11(3)14(9)17)7-12-5-4-6-16-8-12/h4-6,8H,7H2,1-3H3
Standard InCHIKey:  IPGAFOVEIIWXFR-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1627

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 0.8406 NPC65408
Intermediate Similarity 0.8345 NPC70406
Intermediate Similarity 0.8311 NPC80681
Intermediate Similarity 0.8295 NPC91958
Intermediate Similarity 0.8264 NPC105811
Intermediate Similarity 0.8252 NPC467188
Intermediate Similarity 0.824 NPC27802
Intermediate Similarity 0.8217 NPC240136
Intermediate Similarity 0.8217 NPC297486
Intermediate Similarity 0.8217 NPC471402
Intermediate Similarity 0.8163 NPC251391
Intermediate Similarity 0.8151 NPC313889
Intermediate Similarity 0.8146 NPC265100
Intermediate Similarity 0.812 NPC290094
Intermediate Similarity 0.8105 NPC70949
Intermediate Similarity 0.8095 NPC217021
Intermediate Similarity 0.8095 NPC470679
Intermediate Similarity 0.8088 NPC471589
Intermediate Similarity 0.8027 NPC473878
Intermediate Similarity 0.8015 NPC143603
Intermediate Similarity 0.8 NPC76540
Intermediate Similarity 0.7987 NPC209362
Intermediate Similarity 0.7986 NPC322488
Intermediate Similarity 0.797 NPC48564
Intermediate Similarity 0.797 NPC182570
Intermediate Similarity 0.797 NPC265605
Intermediate Similarity 0.7959 NPC123906
Intermediate Similarity 0.7956 NPC89490
Intermediate Similarity 0.7941 NPC169625
Intermediate Similarity 0.7941 NPC202957
Intermediate Similarity 0.7914 NPC256893
Intermediate Similarity 0.7899 NPC475105
Intermediate Similarity 0.7899 NPC329896
Intermediate Similarity 0.7899 NPC475090
Intermediate Similarity 0.7883 NPC471311
Intermediate Similarity 0.7883 NPC471313
Intermediate Similarity 0.7868 NPC166424
Intermediate Similarity 0.7868 NPC245244
Intermediate Similarity 0.7868 NPC146373
Intermediate Similarity 0.7867 NPC229055
Intermediate Similarity 0.7815 NPC74357
Intermediate Similarity 0.7799 NPC157583
Intermediate Similarity 0.7794 NPC476322
Intermediate Similarity 0.7778 NPC470680
Intermediate Similarity 0.7778 NPC100104
Intermediate Similarity 0.7763 NPC213914
Intermediate Similarity 0.7721 NPC46358
Intermediate Similarity 0.7712 NPC474492
Intermediate Similarity 0.7664 NPC27740
Intermediate Similarity 0.766 NPC324611
Intermediate Similarity 0.7651 NPC477974
Intermediate Similarity 0.7651 NPC100726
Intermediate Similarity 0.7647 NPC329825
Intermediate Similarity 0.7613 NPC242116
Intermediate Similarity 0.7606 NPC330326
Intermediate Similarity 0.7593 NPC471997
Intermediate Similarity 0.7593 NPC73994
Intermediate Similarity 0.7589 NPC69914
Intermediate Similarity 0.758 NPC41717
Intermediate Similarity 0.7578 NPC83774
Intermediate Similarity 0.7571 NPC313823
Intermediate Similarity 0.7568 NPC159630
Intermediate Similarity 0.7568 NPC230085
Intermediate Similarity 0.7562 NPC469529
Intermediate Similarity 0.7557 NPC235843
Intermediate Similarity 0.7535 NPC101165
Intermediate Similarity 0.7535 NPC471322
Intermediate Similarity 0.752 NPC83987
Intermediate Similarity 0.7518 NPC476131
Intermediate Similarity 0.7517 NPC114310
Intermediate Similarity 0.7485 NPC61011
Intermediate Similarity 0.7469 NPC237188
Intermediate Similarity 0.7468 NPC114637
Intermediate Similarity 0.7468 NPC56233
Intermediate Similarity 0.7465 NPC315320
Intermediate Similarity 0.7465 NPC282398
Intermediate Similarity 0.7453 NPC139763
Intermediate Similarity 0.7451 NPC107287
Intermediate Similarity 0.7442 NPC231655
Intermediate Similarity 0.7439 NPC191415
Intermediate Similarity 0.7434 NPC471655
Intermediate Similarity 0.7417 NPC112741
Intermediate Similarity 0.74 NPC167400
Intermediate Similarity 0.7397 NPC251722
Intermediate Similarity 0.7397 NPC471312
Intermediate Similarity 0.7397 NPC314102
Intermediate Similarity 0.7386 NPC472260
Intermediate Similarity 0.7381 NPC255909
Intermediate Similarity 0.7378 NPC477042
Intermediate Similarity 0.7376 NPC212125
Intermediate Similarity 0.7349 NPC467063
Intermediate Similarity 0.7349 NPC46895
Intermediate Similarity 0.7329 NPC29702
Intermediate Similarity 0.7317 NPC248462
Intermediate Similarity 0.7297 NPC32002
Intermediate Similarity 0.7297 NPC315348
Intermediate Similarity 0.7297 NPC316811
Intermediate Similarity 0.729 NPC263455
Intermediate Similarity 0.7278 NPC103119
Intermediate Similarity 0.7261 NPC293487
Intermediate Similarity 0.7256 NPC284775
Intermediate Similarity 0.7255 NPC102664
Intermediate Similarity 0.7251 NPC216550
Intermediate Similarity 0.7246 NPC207851
Intermediate Similarity 0.7233 NPC274981
Intermediate Similarity 0.7233 NPC478182
Intermediate Similarity 0.723 NPC169433
Intermediate Similarity 0.7226 NPC312860
Intermediate Similarity 0.7219 NPC471323
Intermediate Similarity 0.7209 NPC103230
Intermediate Similarity 0.7206 NPC148140
Intermediate Similarity 0.7205 NPC78020
Intermediate Similarity 0.7188 NPC42372
Intermediate Similarity 0.7178 NPC477976
Intermediate Similarity 0.716 NPC118084
Intermediate Similarity 0.7153 NPC81561
Intermediate Similarity 0.7152 NPC190296
Intermediate Similarity 0.7143 NPC291517
Intermediate Similarity 0.7143 NPC477003
Intermediate Similarity 0.7134 NPC293216
Intermediate Similarity 0.7133 NPC165370
Intermediate Similarity 0.7133 NPC306397
Intermediate Similarity 0.7125 NPC271797
Intermediate Similarity 0.7125 NPC478184
Intermediate Similarity 0.7125 NPC21174
Intermediate Similarity 0.7117 NPC262338
Intermediate Similarity 0.7117 NPC249614
Intermediate Similarity 0.7115 NPC281094
Intermediate Similarity 0.7108 NPC55772
Intermediate Similarity 0.7108 NPC11126
Intermediate Similarity 0.7095 NPC29886
Intermediate Similarity 0.7095 NPC261195
Intermediate Similarity 0.7091 NPC267885
Intermediate Similarity 0.7086 NPC167710
Intermediate Similarity 0.7083 NPC102755
Intermediate Similarity 0.7081 NPC477975
Intermediate Similarity 0.7078 NPC470111
Intermediate Similarity 0.7063 NPC478185
Intermediate Similarity 0.7063 NPC71079
Intermediate Similarity 0.7059 NPC314372
Intermediate Similarity 0.7055 NPC91895
Intermediate Similarity 0.7055 NPC32534
Intermediate Similarity 0.7052 NPC47190
Intermediate Similarity 0.7048 NPC84827
Intermediate Similarity 0.7048 NPC145885
Intermediate Similarity 0.7048 NPC14113
Intermediate Similarity 0.7047 NPC84911
Intermediate Similarity 0.7047 NPC472288
Intermediate Similarity 0.7047 NPC150259
Intermediate Similarity 0.7037 NPC478183
Intermediate Similarity 0.7034 NPC71236
Intermediate Similarity 0.703 NPC149155
Intermediate Similarity 0.703 NPC203468
Intermediate Similarity 0.703 NPC110500
Intermediate Similarity 0.7019 NPC473057
Intermediate Similarity 0.7019 NPC474217
Intermediate Similarity 0.7014 NPC278451
Intermediate Similarity 0.7006 NPC126709
Intermediate Similarity 0.7006 NPC164340
Intermediate Similarity 0.7006 NPC213468
Intermediate Similarity 0.7006 NPC248041
Intermediate Similarity 0.7006 NPC12649
Intermediate Similarity 0.7 NPC215519
Remote Similarity 0.6994 NPC117244
Remote Similarity 0.6994 NPC473763
Remote Similarity 0.6994 NPC114974
Remote Similarity 0.6994 NPC476460
Remote Similarity 0.6989 NPC227582
Remote Similarity 0.6985 NPC473901
Remote Similarity 0.6983 NPC106757
Remote Similarity 0.6981 NPC129721
Remote Similarity 0.698 NPC96102
Remote Similarity 0.6978 NPC162689
Remote Similarity 0.6978 NPC54102
Remote Similarity 0.6975 NPC233380
Remote Similarity 0.6975 NPC115232
Remote Similarity 0.6974 NPC476454
Remote Similarity 0.6971 NPC195239
Remote Similarity 0.6971 NPC135950
Remote Similarity 0.6971 NPC157828
Remote Similarity 0.6968 NPC179787
Remote Similarity 0.6968 NPC201380
Remote Similarity 0.6959 NPC62749
Remote Similarity 0.6957 NPC476566
Remote Similarity 0.6957 NPC194881
Remote Similarity 0.6954 NPC73767
Remote Similarity 0.6954 NPC110126
Remote Similarity 0.6948 NPC159856
Remote Similarity 0.6948 NPC285731
Remote Similarity 0.6948 NPC86288
Remote Similarity 0.6946 NPC111275
Remote Similarity 0.6946 NPC234987
Remote Similarity 0.6946 NPC64436
Remote Similarity 0.6941 NPC228835
Remote Similarity 0.6939 NPC82295
Remote Similarity 0.6937 NPC113812
Remote Similarity 0.6936 NPC469489
Remote Similarity 0.6933 NPC127730
Remote Similarity 0.6933 NPC278366
Remote Similarity 0.6933 NPC105127

Drug Structure

External Identifiers

TTD   DNC000488
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   93543
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  241.11
ALogP  2.0078
MLogP  2.78
XLogP  1.205
HDA  3
HBD  0
Rotatable Bonds  5
TPSA  47.03
RO5 Violation  0