Drug Information

Drug ID:  NPD9248
Drug Name:  Saccharin
Molecular Formula:  C7H5NO3S
Canonical SMILES:  OC1=NS(=O)(=O)c2c1cccc2
Standard InCHI:  InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
Standard InCHIKey:  CVHZOJJKTDOEJC-UHFFFAOYSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9248

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 1.0 NPC328793
Intermediate Similarity 0.7895 NPC146703
Intermediate Similarity 0.7576 NPC198747
Intermediate Similarity 0.7379 NPC265521
Intermediate Similarity 0.717 NPC3371
Intermediate Similarity 0.7103 NPC33168
Intermediate Similarity 0.7037 NPC315921
Remote Similarity 0.6979 NPC302129
Remote Similarity 0.6907 NPC66655
Remote Similarity 0.6869 NPC192623
Remote Similarity 0.6847 NPC318154
Remote Similarity 0.6731 NPC211237
Remote Similarity 0.6727 NPC107619
Remote Similarity 0.6667 NPC112823
Remote Similarity 0.6667 NPC211551
Remote Similarity 0.6634 NPC117180
Remote Similarity 0.6634 NPC133050
Remote Similarity 0.6613 NPC86966
Remote Similarity 0.6613 NPC324702
Remote Similarity 0.6569 NPC99394
Remote Similarity 0.6569 NPC329319
Remote Similarity 0.6569 NPC87299
Remote Similarity 0.6569 NPC103326
Remote Similarity 0.6505 NPC172984
Remote Similarity 0.6496 NPC153690
Remote Similarity 0.6481 NPC277758
Remote Similarity 0.6476 NPC474211
Remote Similarity 0.6442 NPC304538
Remote Similarity 0.6442 NPC168855
Remote Similarity 0.6441 NPC71266
Remote Similarity 0.641 NPC37584
Remote Similarity 0.6396 NPC317400
Remote Similarity 0.6389 NPC172128
Remote Similarity 0.6389 NPC316108
Remote Similarity 0.6389 NPC258627
Remote Similarity 0.6381 NPC474354
Remote Similarity 0.6373 NPC328178
Remote Similarity 0.6371 NPC5932
Remote Similarity 0.6333 NPC227553
Remote Similarity 0.6333 NPC163674
Remote Similarity 0.633 NPC151764
Remote Similarity 0.6321 NPC93843
Remote Similarity 0.6321 NPC286904
Remote Similarity 0.6306 NPC20142
Remote Similarity 0.6306 NPC215351
Remote Similarity 0.6296 NPC1793
Remote Similarity 0.6263 NPC108218
Remote Similarity 0.6262 NPC155393
Remote Similarity 0.6239 NPC62765
Remote Similarity 0.6226 NPC124436
Remote Similarity 0.6226 NPC265146
Remote Similarity 0.6207 NPC178902
Remote Similarity 0.6204 NPC407
Remote Similarity 0.6204 NPC325441
Remote Similarity 0.6204 NPC307235
Remote Similarity 0.6204 NPC23167
Remote Similarity 0.62 NPC189371
Remote Similarity 0.6186 NPC231705
Remote Similarity 0.6182 NPC300478
Remote Similarity 0.6182 NPC47950
Remote Similarity 0.6182 NPC79917
Remote Similarity 0.6182 NPC300017
Remote Similarity 0.6182 NPC312304
Remote Similarity 0.6168 NPC175313
Remote Similarity 0.6168 NPC248817
Remote Similarity 0.6168 NPC150837
Remote Similarity 0.6167 NPC258056
Remote Similarity 0.6147 NPC25493
Remote Similarity 0.6147 NPC199567
Remote Similarity 0.6147 NPC113460
Remote Similarity 0.6147 NPC104216
Remote Similarity 0.6147 NPC27974
Remote Similarity 0.614 NPC303611
Remote Similarity 0.614 NPC290515
Remote Similarity 0.614 NPC226096
Remote Similarity 0.614 NPC108606
Remote Similarity 0.614 NPC164514
Remote Similarity 0.6134 NPC142297
Remote Similarity 0.6126 NPC45040
Remote Similarity 0.6116 NPC474149
Remote Similarity 0.6111 NPC197783
Remote Similarity 0.6095 NPC106313
Remote Similarity 0.6095 NPC14326
Remote Similarity 0.6091 NPC177420
Remote Similarity 0.6091 NPC123273
Remote Similarity 0.6091 NPC280347
Remote Similarity 0.6091 NPC258219
Remote Similarity 0.6091 NPC242240
Remote Similarity 0.6091 NPC318325
Remote Similarity 0.6087 NPC275104
Remote Similarity 0.6083 NPC96224
Remote Similarity 0.6083 NPC24101
Remote Similarity 0.6082 NPC181786
Remote Similarity 0.608 NPC147957
Remote Similarity 0.6075 NPC3210
Remote Similarity 0.6074 NPC166624
Remote Similarity 0.6071 NPC138117
Remote Similarity 0.6071 NPC325292
Remote Similarity 0.6071 NPC29373
Remote Similarity 0.6068 NPC178681
Remote Similarity 0.6061 NPC121708
Remote Similarity 0.6061 NPC208302
Remote Similarity 0.6061 NPC125144
Remote Similarity 0.6058 NPC309279
Remote Similarity 0.6055 NPC184169
Remote Similarity 0.6036 NPC192
Remote Similarity 0.6036 NPC55561
Remote Similarity 0.6036 NPC226438
Remote Similarity 0.6034 NPC214200
Remote Similarity 0.6034 NPC228400
Remote Similarity 0.6019 NPC224544
Remote Similarity 0.6018 NPC128062
Remote Similarity 0.6018 NPC58674
Remote Similarity 0.6018 NPC151715
Remote Similarity 0.6 NPC470877
Remote Similarity 0.6 NPC165212
Remote Similarity 0.5983 NPC327226
Remote Similarity 0.5982 NPC270547
Remote Similarity 0.5982 NPC128645
Remote Similarity 0.5982 NPC304541
Remote Similarity 0.5982 NPC231150
Remote Similarity 0.5982 NPC204210
Remote Similarity 0.5982 NPC306074
Remote Similarity 0.5982 NPC323164
Remote Similarity 0.5981 NPC95429
Remote Similarity 0.5969 NPC473051
Remote Similarity 0.5969 NPC473050
Remote Similarity 0.5968 NPC1986
Remote Similarity 0.5968 NPC309808
Remote Similarity 0.5968 NPC474544
Remote Similarity 0.5966 NPC472919
Remote Similarity 0.5965 NPC21959
Remote Similarity 0.5965 NPC274678
Remote Similarity 0.5965 NPC61944
Remote Similarity 0.5965 NPC26244
Remote Similarity 0.5965 NPC246679
Remote Similarity 0.5965 NPC313650
Remote Similarity 0.5963 NPC471638
Remote Similarity 0.595 NPC309982
Remote Similarity 0.5948 NPC125732
Remote Similarity 0.5946 NPC74936
Remote Similarity 0.5946 NPC141139
Remote Similarity 0.5946 NPC121872
Remote Similarity 0.5946 NPC98772
Remote Similarity 0.5946 NPC70436
Remote Similarity 0.5946 NPC78041
Remote Similarity 0.5946 NPC471307
Remote Similarity 0.5946 NPC209764
Remote Similarity 0.5946 NPC159178
Remote Similarity 0.5943 NPC283012
Remote Similarity 0.5943 NPC475199
Remote Similarity 0.5938 NPC43275
Remote Similarity 0.5932 NPC82426
Remote Similarity 0.5932 NPC68055
Remote Similarity 0.5932 NPC91820
Remote Similarity 0.5929 NPC181709
Remote Similarity 0.5929 NPC271440
Remote Similarity 0.5929 NPC306884
Remote Similarity 0.5929 NPC3358
Remote Similarity 0.5929 NPC210497
Remote Similarity 0.5929 NPC147284
Remote Similarity 0.5929 NPC55903
Remote Similarity 0.5929 NPC94139
Remote Similarity 0.5929 NPC162314
Remote Similarity 0.5926 NPC58616
Remote Similarity 0.5926 NPC99482
Remote Similarity 0.592 NPC118202
Remote Similarity 0.5918 NPC239931
Remote Similarity 0.5918 NPC78954
Remote Similarity 0.5918 NPC82770
Remote Similarity 0.5913 NPC202986
Remote Similarity 0.5913 NPC253423
Remote Similarity 0.5913 NPC473388
Remote Similarity 0.5913 NPC283711
Remote Similarity 0.5912 NPC184465
Remote Similarity 0.5909 NPC262393
Remote Similarity 0.5902 NPC316052
Remote Similarity 0.5897 NPC289381
Remote Similarity 0.5897 NPC155847
Remote Similarity 0.5897 NPC289117
Remote Similarity 0.5897 NPC29601
Remote Similarity 0.5897 NPC469457
Remote Similarity 0.5888 NPC285773
Remote Similarity 0.5882 NPC150254
Remote Similarity 0.5882 NPC226778
Remote Similarity 0.5882 NPC147000
Remote Similarity 0.5882 NPC304761
Remote Similarity 0.5877 NPC289769
Remote Similarity 0.5877 NPC32977
Remote Similarity 0.5877 NPC76938
Remote Similarity 0.5877 NPC245187
Remote Similarity 0.5877 NPC303045
Remote Similarity 0.5877 NPC27323
Remote Similarity 0.5877 NPC152415
Remote Similarity 0.5877 NPC81010
Remote Similarity 0.5877 NPC161972
Remote Similarity 0.5877 NPC316301
Remote Similarity 0.5873 NPC317254
Remote Similarity 0.5872 NPC318107
Remote Similarity 0.5872 NPC203076

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  183.00
ALogP  -1.153
MLogP  1.68
XLogP  1.268
HDA  4
HBD  1
Rotatable Bonds  1
TPSA  75.11
RO5 Violation  0