Drug Information

Drug ID:  NPD9049
Drug Name:  fosfructose
Molecular Formula:  C6H14O12P2
Canonical SMILES:  O[C@@H]1[C@@H](COP(=O)(O)O)OC([C@H]1O)(O)COP(=O)(O)O
Standard InCHI:  InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6?/m1/s1
Standard InCHIKey:  RNBGYGVWRKECFJ-VRPWFDPXSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9049

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 NPC320043
High Similarity 1.0 NPC103672
High Similarity 0.9792 NPC329095
High Similarity 0.88 NPC322158
High Similarity 0.88 NPC329128
High Similarity 0.8654 NPC317626
High Similarity 0.8654 NPC314821
High Similarity 0.8654 NPC317501
Intermediate Similarity 0.8333 NPC29721
Intermediate Similarity 0.7843 NPC230789
Intermediate Similarity 0.7843 NPC252918
Intermediate Similarity 0.76 NPC320240
Intermediate Similarity 0.76 NPC70756
Intermediate Similarity 0.7547 NPC61270
Intermediate Similarity 0.7547 NPC325822
Intermediate Similarity 0.7547 NPC82512
Intermediate Similarity 0.7407 NPC323574
Intermediate Similarity 0.74 NPC320189
Intermediate Similarity 0.7321 NPC323361
Intermediate Similarity 0.7321 NPC130683
Intermediate Similarity 0.7308 NPC69445
Intermediate Similarity 0.7308 NPC92246
Intermediate Similarity 0.7308 NPC285364
Intermediate Similarity 0.7308 NPC176017
Intermediate Similarity 0.7308 NPC289758
Intermediate Similarity 0.7308 NPC255377
Intermediate Similarity 0.7308 NPC165846
Intermediate Similarity 0.7308 NPC21209
Intermediate Similarity 0.7308 NPC73906
Intermediate Similarity 0.7308 NPC199857
Intermediate Similarity 0.717 NPC277475
Intermediate Similarity 0.717 NPC321087
Intermediate Similarity 0.7143 NPC321102
Intermediate Similarity 0.7143 NPC325153
Intermediate Similarity 0.7143 NPC278465
Intermediate Similarity 0.7143 NPC322803
Intermediate Similarity 0.7037 NPC14144
Intermediate Similarity 0.7 NPC266553
Remote Similarity 0.6964 NPC326533
Remote Similarity 0.6909 NPC42503
Remote Similarity 0.6909 NPC157193
Remote Similarity 0.6909 NPC282143
Remote Similarity 0.6909 NPC299781
Remote Similarity 0.6885 NPC174485
Remote Similarity 0.6852 NPC314613
Remote Similarity 0.6833 NPC219040
Remote Similarity 0.6731 NPC213159
Remote Similarity 0.6731 NPC86191
Remote Similarity 0.6731 NPC134252
Remote Similarity 0.6731 NPC298699
Remote Similarity 0.6731 NPC291502
Remote Similarity 0.6731 NPC317182
Remote Similarity 0.6727 NPC112363
Remote Similarity 0.6724 NPC67660
Remote Similarity 0.6724 NPC145112
Remote Similarity 0.6724 NPC242073
Remote Similarity 0.6724 NPC269166
Remote Similarity 0.6724 NPC165198
Remote Similarity 0.6724 NPC246558
Remote Similarity 0.6724 NPC58629
Remote Similarity 0.6724 NPC157514
Remote Similarity 0.6724 NPC107914
Remote Similarity 0.6724 NPC89145
Remote Similarity 0.6721 NPC34877
Remote Similarity 0.6721 NPC290179
Remote Similarity 0.6667 NPC124963
Remote Similarity 0.6667 NPC23134
Remote Similarity 0.6667 NPC293908
Remote Similarity 0.6667 NPC325034
Remote Similarity 0.6667 NPC86412
Remote Similarity 0.6667 NPC192065
Remote Similarity 0.6667 NPC233726
Remote Similarity 0.6667 NPC3547
Remote Similarity 0.6667 NPC66052
Remote Similarity 0.661 NPC303727
Remote Similarity 0.6508 NPC472026
Remote Similarity 0.6458 NPC227267
Remote Similarity 0.6429 NPC188428
Remote Similarity 0.6429 NPC318700
Remote Similarity 0.6349 NPC323945
Remote Similarity 0.6308 NPC268243
Remote Similarity 0.629 NPC472025
Remote Similarity 0.625 NPC88638
Remote Similarity 0.625 NPC320296
Remote Similarity 0.62 NPC313405
Remote Similarity 0.619 NPC317023
Remote Similarity 0.6182 NPC207656
Remote Similarity 0.6182 NPC107091
Remote Similarity 0.6143 NPC321873
Remote Similarity 0.6129 NPC148424
Remote Similarity 0.6042 NPC197207
Remote Similarity 0.6042 NPC266566
Remote Similarity 0.6042 NPC127074
Remote Similarity 0.6042 NPC321170
Remote Similarity 0.6042 NPC149070
Remote Similarity 0.6042 NPC31433
Remote Similarity 0.6042 NPC187058
Remote Similarity 0.6042 NPC182541
Remote Similarity 0.6038 NPC227707
Remote Similarity 0.6038 NPC102981
Remote Similarity 0.6038 NPC99573
Remote Similarity 0.6038 NPC88278
Remote Similarity 0.6038 NPC111882
Remote Similarity 0.6032 NPC293692
Remote Similarity 0.6 NPC477762
Remote Similarity 0.6 NPC477757
Remote Similarity 0.6 NPC477763
Remote Similarity 0.6 NPC477753
Remote Similarity 0.6 NPC477750
Remote Similarity 0.6 NPC477755
Remote Similarity 0.5938 NPC322855
Remote Similarity 0.5938 NPC320032
Remote Similarity 0.5893 NPC85078
Remote Similarity 0.5846 NPC143326
Remote Similarity 0.5763 NPC328954
Remote Similarity 0.5763 NPC46254
Remote Similarity 0.5758 NPC155457
Remote Similarity 0.5735 NPC6848
Remote Similarity 0.5714 NPC326557
Remote Similarity 0.5652 NPC190418
Remote Similarity 0.5652 NPC12040
Remote Similarity 0.5652 NPC471761
Remote Similarity 0.5652 NPC76881
Remote Similarity 0.5652 NPC147292
Remote Similarity 0.5652 NPC471760
Remote Similarity 0.5616 NPC184550
Remote Similarity 0.5616 NPC185419
Remote Similarity 0.5606 NPC328786
Remote Similarity 0.5606 NPC201338
Remote Similarity 0.5606 NPC474627

Drug Structure

External Identifiers

TTD   DIB008090
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  340.00
ALogP  -2.4352
MLogP  0.58
XLogP  -5.056
HDA  12
HBD  7
Rotatable Bonds  13
TPSA  223.06
RO5 Violation  2