Drug Information

Drug ID:  NPD9006
Drug Name:  Fructose
Molecular Formula:  C6H12O6
Canonical SMILES:  OC[C@H]1O[C@]([C@H]([C@@H]1O)O)(O)CO
Standard InCHI:  InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
Standard InCHIKey:  RFSUNEUAIZKAJO-ARQDHWQXSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9006

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 NPC29721
High Similarity 0.9302 NPC252918
High Similarity 0.9302 NPC230789
High Similarity 0.9048 NPC70756
High Similarity 0.9048 NPC320240
High Similarity 0.8889 NPC82512
High Similarity 0.881 NPC320189
High Similarity 0.8696 NPC323574
High Similarity 0.8636 NPC289758
High Similarity 0.8636 NPC255377
High Similarity 0.8636 NPC73906
High Similarity 0.8636 NPC21209
High Similarity 0.8636 NPC69445
High Similarity 0.8636 NPC92246
High Similarity 0.8636 NPC165846
High Similarity 0.8636 NPC199857
High Similarity 0.8636 NPC176017
High Similarity 0.8636 NPC285364
High Similarity 0.8511 NPC329095
Intermediate Similarity 0.8444 NPC277475
Intermediate Similarity 0.8444 NPC321087
Intermediate Similarity 0.8333 NPC320043
Intermediate Similarity 0.8333 NPC103672
Intermediate Similarity 0.8333 NPC266553
Intermediate Similarity 0.8261 NPC14144
Intermediate Similarity 0.8163 NPC130683
Intermediate Similarity 0.8163 NPC323361
Intermediate Similarity 0.8085 NPC42503
Intermediate Similarity 0.8085 NPC157193
Intermediate Similarity 0.8085 NPC299781
Intermediate Similarity 0.8085 NPC282143
Intermediate Similarity 0.8 NPC293908
Intermediate Similarity 0.8 NPC325034
Intermediate Similarity 0.8 NPC66052
Intermediate Similarity 0.8 NPC192065
Intermediate Similarity 0.8 NPC86412
Intermediate Similarity 0.7955 NPC213159
Intermediate Similarity 0.7955 NPC86191
Intermediate Similarity 0.7955 NPC298699
Intermediate Similarity 0.7955 NPC317182
Intermediate Similarity 0.7955 NPC291502
Intermediate Similarity 0.7955 NPC134252
Intermediate Similarity 0.7872 NPC112363
Intermediate Similarity 0.7755 NPC124963
Intermediate Similarity 0.7755 NPC23134
Intermediate Similarity 0.7755 NPC326533
Intermediate Similarity 0.7755 NPC233726
Intermediate Similarity 0.775 NPC227267
Intermediate Similarity 0.7551 NPC329128
Intermediate Similarity 0.7551 NPC322158
Intermediate Similarity 0.7547 NPC219040
Intermediate Similarity 0.7451 NPC107914
Intermediate Similarity 0.7451 NPC246558
Intermediate Similarity 0.7451 NPC145112
Intermediate Similarity 0.7451 NPC317626
Intermediate Similarity 0.7451 NPC67660
Intermediate Similarity 0.7451 NPC314821
Intermediate Similarity 0.7451 NPC58629
Intermediate Similarity 0.7451 NPC165198
Intermediate Similarity 0.7451 NPC269166
Intermediate Similarity 0.7451 NPC157514
Intermediate Similarity 0.7451 NPC242073
Intermediate Similarity 0.7451 NPC317501
Intermediate Similarity 0.7451 NPC89145
Intermediate Similarity 0.7407 NPC34877
Intermediate Similarity 0.7407 NPC290179
Intermediate Similarity 0.7381 NPC313405
Intermediate Similarity 0.7308 NPC303727
Intermediate Similarity 0.7292 NPC88638
Intermediate Similarity 0.725 NPC187058
Intermediate Similarity 0.725 NPC197207
Intermediate Similarity 0.725 NPC182541
Intermediate Similarity 0.725 NPC149070
Intermediate Similarity 0.725 NPC127074
Intermediate Similarity 0.7234 NPC107091
Intermediate Similarity 0.7234 NPC207656
Intermediate Similarity 0.7143 NPC472026
Intermediate Similarity 0.7111 NPC227707
Intermediate Similarity 0.7111 NPC102981
Intermediate Similarity 0.7111 NPC99573
Intermediate Similarity 0.7111 NPC111882
Intermediate Similarity 0.7111 NPC88278
Intermediate Similarity 0.7037 NPC148424
Remote Similarity 0.6909 NPC293692
Remote Similarity 0.6909 NPC472025
Remote Similarity 0.6897 NPC268243
Remote Similarity 0.6786 NPC320032
Remote Similarity 0.6786 NPC322855
Remote Similarity 0.6786 NPC317023
Remote Similarity 0.6667 NPC143326
Remote Similarity 0.6667 NPC46254
Remote Similarity 0.6552 NPC477753
Remote Similarity 0.6552 NPC477750
Remote Similarity 0.6552 NPC477757
Remote Similarity 0.6552 NPC477755
Remote Similarity 0.6552 NPC477762
Remote Similarity 0.6552 NPC477763
Remote Similarity 0.6552 NPC155457
Remote Similarity 0.6531 NPC85078
Remote Similarity 0.65 NPC33415
Remote Similarity 0.65 NPC301586
Remote Similarity 0.6333 NPC317651
Remote Similarity 0.6333 NPC277570
Remote Similarity 0.6333 NPC258690
Remote Similarity 0.6333 NPC325773
Remote Similarity 0.6316 NPC220922
Remote Similarity 0.6275 NPC314613
Remote Similarity 0.625 NPC320326
Remote Similarity 0.625 NPC326557
Remote Similarity 0.623 NPC6848
Remote Similarity 0.623 NPC13143
Remote Similarity 0.623 NPC294813
Remote Similarity 0.623 NPC31496
Remote Similarity 0.62 NPC62014
Remote Similarity 0.6154 NPC247546
Remote Similarity 0.6154 NPC172086
Remote Similarity 0.6129 NPC471760
Remote Similarity 0.6129 NPC471761
Remote Similarity 0.6129 NPC76881
Remote Similarity 0.6129 NPC147292
Remote Similarity 0.6129 NPC190418
Remote Similarity 0.6129 NPC12040
Remote Similarity 0.6071 NPC289979
Remote Similarity 0.6061 NPC184550
Remote Similarity 0.6061 NPC185419
Remote Similarity 0.6038 NPC61270
Remote Similarity 0.6038 NPC325822
Remote Similarity 0.6034 NPC322148
Remote Similarity 0.6032 NPC291650
Remote Similarity 0.6032 NPC322801
Remote Similarity 0.6032 NPC477764
Remote Similarity 0.6032 NPC477751
Remote Similarity 0.6032 NPC477752
Remote Similarity 0.6032 NPC129100
Remote Similarity 0.6032 NPC477756
Remote Similarity 0.6 NPC277878
Remote Similarity 0.597 NPC308096
Remote Similarity 0.597 NPC248427
Remote Similarity 0.597 NPC291228
Remote Similarity 0.5968 NPC476702
Remote Similarity 0.5962 NPC8597
Remote Similarity 0.5938 NPC477758
Remote Similarity 0.5938 NPC477760
Remote Similarity 0.5938 NPC32148
Remote Similarity 0.5938 NPC179823
Remote Similarity 0.5938 NPC477761
Remote Similarity 0.5938 NPC477759
Remote Similarity 0.5938 NPC477754
Remote Similarity 0.5938 NPC206601
Remote Similarity 0.5932 NPC182903
Remote Similarity 0.5893 NPC196612
Remote Similarity 0.5882 NPC138273
Remote Similarity 0.5854 NPC272307
Remote Similarity 0.5846 NPC50228
Remote Similarity 0.5846 NPC67099
Remote Similarity 0.5846 NPC250619
Remote Similarity 0.5846 NPC97736
Remote Similarity 0.5833 NPC174485
Remote Similarity 0.58 NPC228782
Remote Similarity 0.58 NPC313565
Remote Similarity 0.58 NPC259982
Remote Similarity 0.5789 NPC23155
Remote Similarity 0.5789 NPC469937
Remote Similarity 0.5789 NPC53463
Remote Similarity 0.5789 NPC320588
Remote Similarity 0.5758 NPC211428
Remote Similarity 0.5758 NPC223174
Remote Similarity 0.5758 NPC327753
Remote Similarity 0.5758 NPC285003
Remote Similarity 0.5758 NPC327486
Remote Similarity 0.5758 NPC241265
Remote Similarity 0.575 NPC213764
Remote Similarity 0.5714 NPC325153
Remote Similarity 0.5714 NPC278465
Remote Similarity 0.5714 NPC152008
Remote Similarity 0.5714 NPC322803
Remote Similarity 0.5714 NPC325345
Remote Similarity 0.5714 NPC321102
Remote Similarity 0.5692 NPC316445
Remote Similarity 0.5672 NPC474078
Remote Similarity 0.5672 NPC53760
Remote Similarity 0.5672 NPC471879
Remote Similarity 0.5672 NPC52268
Remote Similarity 0.5667 NPC476209
Remote Similarity 0.5645 NPC172622
Remote Similarity 0.5625 NPC250836
Remote Similarity 0.5625 NPC197039
Remote Similarity 0.561 NPC252154
Remote Similarity 0.561 NPC560
Remote Similarity 0.561 NPC128335
Remote Similarity 0.5606 NPC473294
Remote Similarity 0.5606 NPC471472

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  180.06
ALogP  -2.5636
MLogP  1.46
XLogP  -1.74
HDA  6
HBD  5
Rotatable Bonds  7
TPSA  110.38
RO5 Violation  0