Drug Information

Drug ID:  NPD160
Drug Name:  
Molecular Formula:  C10H10N2O5
Canonical SMILES:  O=N(=O)OCCN1COc2c(C1=O)cccc2
Standard InCHI:  InChI=1S/C10H10N2O5/c13-10-8-3-1-2-4-9(8)16-7-11(10)5-6-17-12(14)15/h1-4H,5-7H2
Standard InCHIKey:  POVFCWQCRHXYAB-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD160

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 0.8125 NPC266425
Intermediate Similarity 0.761 NPC471649
Intermediate Similarity 0.7484 NPC119669
Intermediate Similarity 0.7412 NPC222524
Intermediate Similarity 0.7338 NPC53953
Intermediate Similarity 0.7338 NPC279916
Intermediate Similarity 0.7325 NPC471646
Intermediate Similarity 0.7325 NPC471647
Intermediate Similarity 0.7246 NPC471651
Intermediate Similarity 0.72 NPC83511
Intermediate Similarity 0.72 NPC116007
Intermediate Similarity 0.7169 NPC135006
Intermediate Similarity 0.7153 NPC201284
Intermediate Similarity 0.7133 NPC217423
Intermediate Similarity 0.7123 NPC314329
Intermediate Similarity 0.7119 NPC477259
Intermediate Similarity 0.7119 NPC169387
Intermediate Similarity 0.7114 NPC218323
Intermediate Similarity 0.7113 NPC188907
Intermediate Similarity 0.7091 NPC476443
Intermediate Similarity 0.7091 NPC133817
Intermediate Similarity 0.7079 NPC208890
Intermediate Similarity 0.7073 NPC470708
Intermediate Similarity 0.7059 NPC132308
Intermediate Similarity 0.7051 NPC160747
Intermediate Similarity 0.7034 NPC35744
Intermediate Similarity 0.7032 NPC307682
Intermediate Similarity 0.7024 NPC153631
Intermediate Similarity 0.702 NPC283079
Intermediate Similarity 0.7 NPC189908
Remote Similarity 0.6988 NPC301163
Remote Similarity 0.6987 NPC238412
Remote Similarity 0.6987 NPC471316
Remote Similarity 0.6986 NPC230951
Remote Similarity 0.6968 NPC196708
Remote Similarity 0.6966 NPC32298
Remote Similarity 0.6966 NPC171023
Remote Similarity 0.6962 NPC473444
Remote Similarity 0.6962 NPC26589
Remote Similarity 0.6959 NPC471648
Remote Similarity 0.6933 NPC4164
Remote Similarity 0.6932 NPC27887
Remote Similarity 0.6927 NPC471650
Remote Similarity 0.6923 NPC469808
Remote Similarity 0.6918 NPC54243
Remote Similarity 0.6914 NPC223873
Remote Similarity 0.6903 NPC167096
Remote Similarity 0.6897 NPC45104
Remote Similarity 0.6894 NPC469978
Remote Similarity 0.6892 NPC26285
Remote Similarity 0.6885 NPC477258
Remote Similarity 0.6879 NPC252107
Remote Similarity 0.6879 NPC216149
Remote Similarity 0.6879 NPC208170
Remote Similarity 0.6879 NPC225745
Remote Similarity 0.6875 NPC327005
Remote Similarity 0.6871 NPC470092
Remote Similarity 0.6871 NPC214239
Remote Similarity 0.6867 NPC56332
Remote Similarity 0.6859 NPC251454
Remote Similarity 0.6859 NPC136330
Remote Similarity 0.6859 NPC73883
Remote Similarity 0.6859 NPC255817
Remote Similarity 0.6859 NPC277042
Remote Similarity 0.6859 NPC230698
Remote Similarity 0.6859 NPC196609
Remote Similarity 0.6859 NPC205178
Remote Similarity 0.6859 NPC180647
Remote Similarity 0.6848 NPC24228
Remote Similarity 0.6836 NPC99723
Remote Similarity 0.6835 NPC231572
Remote Similarity 0.6829 NPC470088
Remote Similarity 0.6824 NPC469479
Remote Similarity 0.6821 NPC224657
Remote Similarity 0.6815 NPC99078
Remote Similarity 0.6811 NPC112937
Remote Similarity 0.681 NPC324081
Remote Similarity 0.68 NPC182646
Remote Similarity 0.6796 NPC45389
Remote Similarity 0.6796 NPC166979
Remote Similarity 0.6795 NPC473360
Remote Similarity 0.679 NPC9373
Remote Similarity 0.6776 NPC474264
Remote Similarity 0.6772 NPC470707
Remote Similarity 0.6772 NPC220923
Remote Similarity 0.6755 NPC255073
Remote Similarity 0.6755 NPC4012
Remote Similarity 0.6743 NPC129578
Remote Similarity 0.6743 NPC303581
Remote Similarity 0.6743 NPC67978
Remote Similarity 0.6733 NPC311219
Remote Similarity 0.6732 NPC45537
Remote Similarity 0.6732 NPC264428
Remote Similarity 0.6713 NPC57879
Remote Similarity 0.6713 NPC23332
Remote Similarity 0.6713 NPC54626
Remote Similarity 0.6711 NPC65041
Remote Similarity 0.6711 NPC124776
Remote Similarity 0.6711 NPC2771
Remote Similarity 0.6709 NPC106606
Remote Similarity 0.6689 NPC472888
Remote Similarity 0.6689 NPC93730
Remote Similarity 0.6685 NPC309692
Remote Similarity 0.6685 NPC288305
Remote Similarity 0.6685 NPC197335
Remote Similarity 0.6685 NPC270301
Remote Similarity 0.6667 NPC308267
Remote Similarity 0.6667 NPC237868
Remote Similarity 0.6667 NPC305717
Remote Similarity 0.6667 NPC284842
Remote Similarity 0.6667 NPC235194
Remote Similarity 0.6648 NPC314659
Remote Similarity 0.6647 NPC93653
Remote Similarity 0.6646 NPC138365
Remote Similarity 0.6646 NPC296085
Remote Similarity 0.6645 NPC6888
Remote Similarity 0.6645 NPC193805
Remote Similarity 0.6645 NPC473019
Remote Similarity 0.6645 NPC120251
Remote Similarity 0.6645 NPC211120
Remote Similarity 0.6644 NPC233282
Remote Similarity 0.6643 NPC183648
Remote Similarity 0.6632 NPC41216
Remote Similarity 0.6631 NPC215098
Remote Similarity 0.6631 NPC46744
Remote Similarity 0.6631 NPC70290
Remote Similarity 0.6631 NPC73020
Remote Similarity 0.6631 NPC14622
Remote Similarity 0.6631 NPC124302
Remote Similarity 0.663 NPC473004
Remote Similarity 0.6629 NPC73280
Remote Similarity 0.6627 NPC287757
Remote Similarity 0.6627 NPC169742
Remote Similarity 0.6627 NPC319320
Remote Similarity 0.6624 NPC474340
Remote Similarity 0.6623 NPC71525
Remote Similarity 0.6623 NPC470841
Remote Similarity 0.6623 NPC293387
Remote Similarity 0.6623 NPC298884
Remote Similarity 0.6622 NPC94637
Remote Similarity 0.6612 NPC473008
Remote Similarity 0.6612 NPC283207
Remote Similarity 0.6612 NPC469437
Remote Similarity 0.6609 NPC206941
Remote Similarity 0.6605 NPC908
Remote Similarity 0.6605 NPC138438
Remote Similarity 0.6604 NPC125269
Remote Similarity 0.6604 NPC281104
Remote Similarity 0.6603 NPC257390
Remote Similarity 0.6603 NPC185497
Remote Similarity 0.6603 NPC473271
Remote Similarity 0.6603 NPC228184
Remote Similarity 0.6603 NPC12694
Remote Similarity 0.6599 NPC128825
Remote Similarity 0.6599 NPC316062
Remote Similarity 0.6584 NPC251439
Remote Similarity 0.6582 NPC29650
Remote Similarity 0.6582 NPC182428
Remote Similarity 0.6581 NPC125887
Remote Similarity 0.6581 NPC475017
Remote Similarity 0.6579 NPC2173
Remote Similarity 0.6579 NPC217277
Remote Similarity 0.6579 NPC328700
Remote Similarity 0.6579 NPC202771
Remote Similarity 0.6579 NPC119818
Remote Similarity 0.6577 NPC90522
Remote Similarity 0.6577 NPC328459
Remote Similarity 0.6575 NPC252004
Remote Similarity 0.6575 NPC473007
Remote Similarity 0.6575 NPC315542
Remote Similarity 0.657 NPC26353
Remote Similarity 0.6562 NPC28641
Remote Similarity 0.6562 NPC194359
Remote Similarity 0.6561 NPC217574
Remote Similarity 0.6561 NPC477412
Remote Similarity 0.6561 NPC314100
Remote Similarity 0.6561 NPC72788
Remote Similarity 0.6561 NPC141549
Remote Similarity 0.6561 NPC226652
Remote Similarity 0.6561 NPC205360
Remote Similarity 0.6561 NPC120671
Remote Similarity 0.6554 NPC469954
Remote Similarity 0.6552 NPC35345
Remote Similarity 0.6552 NPC231198
Remote Similarity 0.6552 NPC469505
Remote Similarity 0.6547 NPC84325
Remote Similarity 0.6545 NPC71629
Remote Similarity 0.6541 NPC114039
Remote Similarity 0.6541 NPC206109
Remote Similarity 0.6541 NPC223354
Remote Similarity 0.6541 NPC226708
Remote Similarity 0.6538 NPC160193
Remote Similarity 0.6538 NPC262725
Remote Similarity 0.6538 NPC261759
Remote Similarity 0.6538 NPC8005
Remote Similarity 0.6538 NPC87391
Remote Similarity 0.6538 NPC78662
Remote Similarity 0.6538 NPC60558
Remote Similarity 0.6536 NPC470162
Remote Similarity 0.6536 NPC470163

Drug Structure

External Identifiers

TTD   DIB000927
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  238.06
ALogP  -0.7744
MLogP  1.79
XLogP  1.902
HDA  2
HBD  0
Rotatable Bonds  4
TPSA  84.59
RO5 Violation  0