Drug Information

Drug ID:  NPD204
Drug Name:  
Molecular Formula:  C10H12N2O4
Canonical SMILES:  CCOc1cc(ccc1N=C(O)C)N(=O)=O
Standard InCHI:  InChI=1S/C10H12N2O4/c1-3-16-10-6-8(12(14)15)4-5-9(10)11-7(2)13/h4-6H,3H2,1-2H3,(H,11,13)
Standard InCHIKey:  XZWVZJDHIDYKPB-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD204

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 0.8015 NPC315632
Intermediate Similarity 0.7727 NPC264782
Intermediate Similarity 0.7676 NPC473987
Intermediate Similarity 0.7639 NPC297584
Intermediate Similarity 0.75 NPC9336
Intermediate Similarity 0.75 NPC226914
Intermediate Similarity 0.7329 NPC208022
Intermediate Similarity 0.732 NPC473769
Intermediate Similarity 0.7293 NPC255721
Intermediate Similarity 0.7124 NPC168750
Intermediate Similarity 0.708 NPC322735
Intermediate Similarity 0.7032 NPC473874
Intermediate Similarity 0.7029 NPC329190
Intermediate Similarity 0.7021 NPC321869
Remote Similarity 0.6957 NPC112766
Remote Similarity 0.6933 NPC231862
Remote Similarity 0.6913 NPC313466
Remote Similarity 0.6889 NPC76327
Remote Similarity 0.6889 NPC44836
Remote Similarity 0.6883 NPC314113
Remote Similarity 0.6859 NPC260601
Remote Similarity 0.681 NPC70549
Remote Similarity 0.6788 NPC57105
Remote Similarity 0.6766 NPC314861
Remote Similarity 0.6739 NPC329358
Remote Similarity 0.6731 NPC476462
Remote Similarity 0.6667 NPC118776
Remote Similarity 0.6667 NPC219383
Remote Similarity 0.6667 NPC256838
Remote Similarity 0.6632 NPC471532
Remote Similarity 0.6629 NPC110741
Remote Similarity 0.6627 NPC306366
Remote Similarity 0.6605 NPC40209
Remote Similarity 0.6532 NPC473432
Remote Similarity 0.6529 NPC1527
Remote Similarity 0.6505 NPC111492
Remote Similarity 0.6471 NPC127362
Remote Similarity 0.6471 NPC311660
Remote Similarity 0.6457 NPC316161
Remote Similarity 0.6452 NPC317872
Remote Similarity 0.6446 NPC10730
Remote Similarity 0.6446 NPC315257
Remote Similarity 0.6446 NPC10875
Remote Similarity 0.6433 NPC476475
Remote Similarity 0.6412 NPC204179
Remote Similarity 0.641 NPC471531
Remote Similarity 0.641 NPC159589
Remote Similarity 0.6389 NPC469830
Remote Similarity 0.6354 NPC471561
Remote Similarity 0.6343 NPC290069
Remote Similarity 0.6331 NPC19023
Remote Similarity 0.6323 NPC471953
Remote Similarity 0.6323 NPC274732
Remote Similarity 0.6322 NPC225381
Remote Similarity 0.6307 NPC220560
Remote Similarity 0.6307 NPC315631
Remote Similarity 0.6296 NPC313918
Remote Similarity 0.6284 NPC263835
Remote Similarity 0.6278 NPC313886
Remote Similarity 0.6266 NPC166667
Remote Similarity 0.6264 NPC310894
Remote Similarity 0.625 NPC212850
Remote Similarity 0.625 NPC189724
Remote Similarity 0.625 NPC83289
Remote Similarity 0.625 NPC168153
Remote Similarity 0.6235 NPC285635
Remote Similarity 0.6233 NPC258992
Remote Similarity 0.6226 NPC469828
Remote Similarity 0.6222 NPC469829
Remote Similarity 0.6216 NPC256369
Remote Similarity 0.6214 NPC41594
Remote Similarity 0.6199 NPC177404
Remote Similarity 0.6193 NPC95898
Remote Similarity 0.619 NPC323948
Remote Similarity 0.6184 NPC325013
Remote Similarity 0.6174 NPC160120
Remote Similarity 0.6174 NPC53596
Remote Similarity 0.6174 NPC17388
Remote Similarity 0.6174 NPC289330
Remote Similarity 0.6174 NPC471308
Remote Similarity 0.6168 NPC184161
Remote Similarity 0.6146 NPC473422
Remote Similarity 0.6136 NPC73280
Remote Similarity 0.6134 NPC308392
Remote Similarity 0.6124 NPC283152
Remote Similarity 0.6115 NPC470392
Remote Similarity 0.6114 NPC471736
Remote Similarity 0.6114 NPC477888
Remote Similarity 0.6099 NPC42591
Remote Similarity 0.6098 NPC247298
Remote Similarity 0.609 NPC318429
Remote Similarity 0.6087 NPC70201
Remote Similarity 0.608 NPC258773
Remote Similarity 0.6067 NPC8467
Remote Similarity 0.6067 NPC41801
Remote Similarity 0.6053 NPC471314
Remote Similarity 0.6053 NPC471315
Remote Similarity 0.6044 NPC62069
Remote Similarity 0.6042 NPC95977
Remote Similarity 0.6034 NPC9475
Remote Similarity 0.6034 NPC70172
Remote Similarity 0.6024 NPC245974
Remote Similarity 0.6024 NPC315829
Remote Similarity 0.6022 NPC288305
Remote Similarity 0.6014 NPC146530
Remote Similarity 0.6013 NPC211218
Remote Similarity 0.6012 NPC72291
Remote Similarity 0.6 NPC122542
Remote Similarity 0.6 NPC19555
Remote Similarity 0.6 NPC476483
Remote Similarity 0.599 NPC470586
Remote Similarity 0.5989 NPC469831
Remote Similarity 0.5979 NPC470023
Remote Similarity 0.5978 NPC288943
Remote Similarity 0.5977 NPC118511
Remote Similarity 0.5947 NPC470021
Remote Similarity 0.5947 NPC314948
Remote Similarity 0.5946 NPC303370
Remote Similarity 0.5941 NPC26872
Remote Similarity 0.5936 NPC28510
Remote Similarity 0.592 NPC79911
Remote Similarity 0.5914 NPC217294
Remote Similarity 0.5907 NPC214368
Remote Similarity 0.5899 NPC121658
Remote Similarity 0.5899 NPC14651
Remote Similarity 0.5897 NPC14339
Remote Similarity 0.5896 NPC291359
Remote Similarity 0.589 NPC166837
Remote Similarity 0.589 NPC36434
Remote Similarity 0.589 NPC47986
Remote Similarity 0.5871 NPC95733
Remote Similarity 0.5871 NPC62101
Remote Similarity 0.5864 NPC478049
Remote Similarity 0.5862 NPC120798
Remote Similarity 0.5862 NPC235628
Remote Similarity 0.586 NPC66083
Remote Similarity 0.5859 NPC477825
Remote Similarity 0.5854 NPC298821
Remote Similarity 0.585 NPC477827
Remote Similarity 0.585 NPC477826
Remote Similarity 0.5849 NPC308885
Remote Similarity 0.5849 NPC255550
Remote Similarity 0.5847 NPC266551
Remote Similarity 0.5847 NPC270301
Remote Similarity 0.5846 NPC473460
Remote Similarity 0.5843 NPC476518
Remote Similarity 0.5838 NPC26850
Remote Similarity 0.5838 NPC20249
Remote Similarity 0.5824 NPC109968
Remote Similarity 0.5824 NPC472168
Remote Similarity 0.5824 NPC258222
Remote Similarity 0.5818 NPC123761
Remote Similarity 0.5816 NPC51633
Remote Similarity 0.5815 NPC98197
Remote Similarity 0.5814 NPC307456
Remote Similarity 0.5813 NPC93882
Remote Similarity 0.5813 NPC307123
Remote Similarity 0.5813 NPC247018
Remote Similarity 0.5813 NPC97870
Remote Similarity 0.5813 NPC130595
Remote Similarity 0.5812 NPC108847
Remote Similarity 0.5811 NPC26524
Remote Similarity 0.5805 NPC301163
Remote Similarity 0.5804 NPC17537
Remote Similarity 0.5799 NPC277857
Remote Similarity 0.5799 NPC115144
Remote Similarity 0.5798 NPC473008
Remote Similarity 0.5798 NPC174629
Remote Similarity 0.5793 NPC309982
Remote Similarity 0.5792 NPC168486
Remote Similarity 0.5792 NPC222592
Remote Similarity 0.5789 NPC79293
Remote Similarity 0.5789 NPC43275
Remote Similarity 0.5789 NPC279401
Remote Similarity 0.5786 NPC314803
Remote Similarity 0.5786 NPC314473
Remote Similarity 0.5786 NPC132725
Remote Similarity 0.5781 NPC272706
Remote Similarity 0.5776 NPC169766
Remote Similarity 0.5776 NPC132308
Remote Similarity 0.5776 NPC6854
Remote Similarity 0.5776 NPC313737
Remote Similarity 0.5776 NPC91615
Remote Similarity 0.5776 NPC285078
Remote Similarity 0.5775 NPC232872
Remote Similarity 0.5775 NPC192596
Remote Similarity 0.5763 NPC254700
Remote Similarity 0.5763 NPC299582
Remote Similarity 0.5761 NPC219963
Remote Similarity 0.5758 NPC125306
Remote Similarity 0.5758 NPC23837
Remote Similarity 0.5741 NPC218530
Remote Similarity 0.5739 NPC230942
Remote Similarity 0.5739 NPC315498
Remote Similarity 0.5738 NPC287152
Remote Similarity 0.5737 NPC204970
Remote Similarity 0.5737 NPC473004
Remote Similarity 0.5736 NPC124576
Remote Similarity 0.5735 NPC477828
Remote Similarity 0.5734 NPC38079

Drug Structure

External Identifiers

TTD   DCL001133
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   2877953
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  224.08
ALogP  0.787
MLogP  1.9
XLogP  2.495
HDA  2
HBD  1
Rotatable Bonds  8
TPSA  84.96
RO5 Violation  0