Drug Information

Drug ID:  NPD159
Drug Name:  
Molecular Formula:  C10H10N2O4
Canonical SMILES:  ON=C(/C=C/c1cccc(c1)C(=NO)O)O
Standard InCHI:  InChI=1S/C10H10N2O4/c13-9(11-15)5-4-7-2-1-3-8(6-7)10(14)12-16/h1-6,15-16H,(H,11,13)(H,12,14)/b5-4+
Standard InCHIKey:  OYKBQNOPCSXWBL-SNAWJCMRSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD159

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 0.8556 NPC198747
High Similarity 0.8523 NPC146703
Intermediate Similarity 0.8333 NPC33168
Intermediate Similarity 0.8298 NPC265521
Intermediate Similarity 0.8041 NPC3371
Intermediate Similarity 0.7978 NPC192623
Intermediate Similarity 0.77 NPC107619
Intermediate Similarity 0.7692 NPC133050
Intermediate Similarity 0.7647 NPC318154
Intermediate Similarity 0.764 NPC66655
Intermediate Similarity 0.7526 NPC172128
Intermediate Similarity 0.7525 NPC315921
Intermediate Similarity 0.75 NPC117180
Intermediate Similarity 0.7474 NPC474211
Intermediate Similarity 0.7447 NPC304538
Intermediate Similarity 0.7447 NPC168855
Intermediate Similarity 0.7429 NPC211551
Intermediate Similarity 0.7423 NPC199567
Intermediate Similarity 0.7419 NPC99394
Intermediate Similarity 0.7419 NPC87299
Intermediate Similarity 0.7419 NPC329319
Intermediate Similarity 0.7419 NPC103326
Intermediate Similarity 0.7396 NPC211237
Intermediate Similarity 0.7396 NPC471638
Intermediate Similarity 0.7391 NPC328178
Intermediate Similarity 0.7379 NPC328793
Intermediate Similarity 0.7368 NPC474354
Intermediate Similarity 0.7347 NPC258627
Intermediate Similarity 0.734 NPC172984
Intermediate Similarity 0.7292 NPC93843
Intermediate Similarity 0.7245 NPC1793
Intermediate Similarity 0.7222 NPC153690
Intermediate Similarity 0.7222 NPC189371
Intermediate Similarity 0.7207 NPC309808
Intermediate Similarity 0.72 NPC128645
Intermediate Similarity 0.72 NPC323164
Intermediate Similarity 0.72 NPC204210
Intermediate Similarity 0.7182 NPC163674
Intermediate Similarity 0.7182 NPC227553
Intermediate Similarity 0.7172 NPC70436
Intermediate Similarity 0.7143 NPC325441
Intermediate Similarity 0.713 NPC37584
Intermediate Similarity 0.7111 NPC108218
Intermediate Similarity 0.71 NPC226438
Intermediate Similarity 0.7091 NPC474149
Intermediate Similarity 0.7075 NPC178902
Intermediate Similarity 0.7071 NPC19680
Intermediate Similarity 0.7059 NPC215351
Intermediate Similarity 0.7059 NPC289769
Intermediate Similarity 0.7059 NPC20142
Intermediate Similarity 0.7053 NPC14326
Intermediate Similarity 0.7041 NPC155393
Intermediate Similarity 0.7037 NPC231705
Intermediate Similarity 0.703 NPC45040
Intermediate Similarity 0.701 NPC265146
Intermediate Similarity 0.701 NPC3210
Intermediate Similarity 0.7 NPC258219
Intermediate Similarity 0.7 NPC242240
Intermediate Similarity 0.7 NPC258056
Intermediate Similarity 0.7 NPC123273
Intermediate Similarity 0.7 NPC318325
Intermediate Similarity 0.7 NPC316108
Remote Similarity 0.699 NPC25565
Remote Similarity 0.699 NPC8392
Remote Similarity 0.6989 NPC224544
Remote Similarity 0.6972 NPC142297
Remote Similarity 0.697 NPC23167
Remote Similarity 0.697 NPC307235
Remote Similarity 0.697 NPC407
Remote Similarity 0.6952 NPC128723
Remote Similarity 0.6952 NPC228435
Remote Similarity 0.6939 NPC248817
Remote Similarity 0.6939 NPC175313
Remote Similarity 0.6939 NPC286904
Remote Similarity 0.6931 NPC300017
Remote Similarity 0.6931 NPC192
Remote Similarity 0.6931 NPC79917
Remote Similarity 0.693 NPC317254
Remote Similarity 0.6923 NPC475439
Remote Similarity 0.6923 NPC473501
Remote Similarity 0.6909 NPC24101
Remote Similarity 0.6909 NPC96224
Remote Similarity 0.6909 NPC309982
Remote Similarity 0.6907 NPC95429
Remote Similarity 0.6903 NPC1986
Remote Similarity 0.6903 NPC474544
Remote Similarity 0.69 NPC470877
Remote Similarity 0.69 NPC113460
Remote Similarity 0.69 NPC27974
Remote Similarity 0.69 NPC104216
Remote Similarity 0.69 NPC25493
Remote Similarity 0.6893 NPC151715
Remote Similarity 0.6893 NPC58674
Remote Similarity 0.6893 NPC128062
Remote Similarity 0.6893 NPC161972
Remote Similarity 0.6893 NPC303045
Remote Similarity 0.6889 NPC121708
Remote Similarity 0.6889 NPC208302
Remote Similarity 0.6889 NPC125144
Remote Similarity 0.6887 NPC289117
Remote Similarity 0.6887 NPC469481
Remote Similarity 0.6875 NPC106313
Remote Similarity 0.6869 NPC197783
Remote Similarity 0.6863 NPC306074
Remote Similarity 0.6863 NPC304541
Remote Similarity 0.6863 NPC314690
Remote Similarity 0.6857 NPC290515
Remote Similarity 0.6857 NPC226096
Remote Similarity 0.6857 NPC77492
Remote Similarity 0.6857 NPC164514
Remote Similarity 0.6857 NPC108606
Remote Similarity 0.6857 NPC303611
Remote Similarity 0.6847 NPC71266
Remote Similarity 0.6842 NPC118202
Remote Similarity 0.6842 NPC309279
Remote Similarity 0.6837 NPC99482
Remote Similarity 0.6837 NPC124436
Remote Similarity 0.6832 NPC209764
Remote Similarity 0.6832 NPC74936
Remote Similarity 0.6832 NPC159178
Remote Similarity 0.6832 NPC471307
Remote Similarity 0.6832 NPC78041
Remote Similarity 0.6832 NPC141139
Remote Similarity 0.6832 NPC177420
Remote Similarity 0.6832 NPC121872
Remote Similarity 0.6832 NPC280347
Remote Similarity 0.6827 NPC222146
Remote Similarity 0.6827 NPC274678
Remote Similarity 0.6827 NPC26244
Remote Similarity 0.6827 NPC144682
Remote Similarity 0.681 NPC311737
Remote Similarity 0.681 NPC38458
Remote Similarity 0.68 NPC262393
Remote Similarity 0.68 NPC329064
Remote Similarity 0.68 NPC184169
Remote Similarity 0.6796 NPC162314
Remote Similarity 0.6796 NPC306884
Remote Similarity 0.6796 NPC55903
Remote Similarity 0.6796 NPC94139
Remote Similarity 0.6796 NPC138117
Remote Similarity 0.6796 NPC325292
Remote Similarity 0.6796 NPC147284
Remote Similarity 0.6796 NPC3358
Remote Similarity 0.6796 NPC271440
Remote Similarity 0.6796 NPC210497
Remote Similarity 0.6792 NPC122005
Remote Similarity 0.6792 NPC252821
Remote Similarity 0.6786 NPC323007
Remote Similarity 0.6771 NPC165212
Remote Similarity 0.6768 NPC150837
Remote Similarity 0.6768 NPC203076
Remote Similarity 0.6765 NPC312304
Remote Similarity 0.6765 NPC151764
Remote Similarity 0.6765 NPC300478
Remote Similarity 0.6765 NPC47950
Remote Similarity 0.6765 NPC55561
Remote Similarity 0.6762 NPC473388
Remote Similarity 0.6762 NPC311242
Remote Similarity 0.6759 NPC108497
Remote Similarity 0.6759 NPC168829
Remote Similarity 0.6759 NPC470202
Remote Similarity 0.6759 NPC19856
Remote Similarity 0.6757 NPC182549
Remote Similarity 0.6757 NPC114741
Remote Similarity 0.6742 NPC239931
Remote Similarity 0.6742 NPC82770
Remote Similarity 0.6742 NPC78954
Remote Similarity 0.6731 NPC27323
Remote Similarity 0.6731 NPC76938
Remote Similarity 0.6731 NPC152415
Remote Similarity 0.6731 NPC316301
Remote Similarity 0.6729 NPC225506
Remote Similarity 0.6729 NPC469457
Remote Similarity 0.6729 NPC228400
Remote Similarity 0.6729 NPC214200
Remote Similarity 0.6724 NPC82963
Remote Similarity 0.6723 NPC324702
Remote Similarity 0.6701 NPC475199
Remote Similarity 0.6701 NPC283012
Remote Similarity 0.67 NPC473031
Remote Similarity 0.6699 NPC231150
Remote Similarity 0.6699 NPC155908
Remote Similarity 0.6699 NPC270547
Remote Similarity 0.6698 NPC474073
Remote Similarity 0.6697 NPC315794
Remote Similarity 0.6697 NPC288411
Remote Similarity 0.6695 NPC283760
Remote Similarity 0.6667 NPC51015
Remote Similarity 0.6667 NPC109151
Remote Similarity 0.6667 NPC40258
Remote Similarity 0.6667 NPC313650
Remote Similarity 0.6667 NPC327226
Remote Similarity 0.6667 NPC32714
Remote Similarity 0.6667 NPC91461
Remote Similarity 0.6667 NPC246679
Remote Similarity 0.6667 NPC62765
Remote Similarity 0.6667 NPC98772
Remote Similarity 0.6667 NPC61944
Remote Similarity 0.6667 NPC7686
Remote Similarity 0.6667 NPC21959

Drug Structure

External Identifiers

TTD   DPR000147
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5353484
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  222.06
ALogP  -0.0347
MLogP  1.9
XLogP  2.994
HDA  2
HBD  4
Rotatable Bonds  7
TPSA  105.64
RO5 Violation  0