Drug Information

Drug ID:  NPD8788
Drug Name:  Xylose
Molecular Formula:  C5H10O5
Canonical SMILES:  O[C@@H]1COC([C@@H]([C@H]1O)O)O
Standard InCHI:  InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1
Standard InCHIKey:  SRBFZHDQGSBBOR-IOVATXLUSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8788

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 NPC134252
High Similarity 1.0 NPC291502
High Similarity 1.0 NPC298699
High Similarity 1.0 NPC86191
High Similarity 1.0 NPC317182
High Similarity 1.0 NPC213159
High Similarity 0.9286 NPC165846
High Similarity 0.9286 NPC176017
High Similarity 0.9286 NPC92246
High Similarity 0.9286 NPC255377
High Similarity 0.9286 NPC69445
High Similarity 0.9286 NPC21209
High Similarity 0.9286 NPC289758
High Similarity 0.9286 NPC199857
High Similarity 0.9286 NPC285364
High Similarity 0.9286 NPC73906
High Similarity 0.907 NPC321087
High Similarity 0.907 NPC277475
High Similarity 0.9024 NPC320189
High Similarity 0.8864 NPC14144
High Similarity 0.881 NPC70756
High Similarity 0.881 NPC320240
High Similarity 0.8667 NPC299781
High Similarity 0.8667 NPC157193
High Similarity 0.8667 NPC42503
High Similarity 0.8667 NPC282143
Intermediate Similarity 0.8478 NPC323574
Intermediate Similarity 0.8298 NPC124963
Intermediate Similarity 0.8298 NPC233726
Intermediate Similarity 0.8298 NPC23134
Intermediate Similarity 0.8298 NPC326533
Intermediate Similarity 0.8095 NPC266553
Intermediate Similarity 0.7959 NPC323361
Intermediate Similarity 0.7959 NPC67660
Intermediate Similarity 0.7959 NPC317626
Intermediate Similarity 0.7959 NPC242073
Intermediate Similarity 0.7959 NPC314821
Intermediate Similarity 0.7959 NPC89145
Intermediate Similarity 0.7959 NPC107914
Intermediate Similarity 0.7959 NPC58629
Intermediate Similarity 0.7959 NPC246558
Intermediate Similarity 0.7959 NPC157514
Intermediate Similarity 0.7959 NPC317501
Intermediate Similarity 0.7959 NPC269166
Intermediate Similarity 0.7959 NPC165198
Intermediate Similarity 0.7959 NPC130683
Intermediate Similarity 0.7959 NPC145112
Intermediate Similarity 0.7955 NPC29721
Intermediate Similarity 0.78 NPC303727
Intermediate Similarity 0.7708 NPC329128
Intermediate Similarity 0.7708 NPC322158
Intermediate Similarity 0.75 NPC148424
Intermediate Similarity 0.7447 NPC252918
Intermediate Similarity 0.7447 NPC230789
Intermediate Similarity 0.7436 NPC127074
Intermediate Similarity 0.7436 NPC182541
Intermediate Similarity 0.7436 NPC187058
Intermediate Similarity 0.7436 NPC149070
Intermediate Similarity 0.7436 NPC197207
Intermediate Similarity 0.7358 NPC472025
Intermediate Similarity 0.7358 NPC219040
Intermediate Similarity 0.7222 NPC322855
Intermediate Similarity 0.7222 NPC320032
Intermediate Similarity 0.7222 NPC317023
Intermediate Similarity 0.7222 NPC290179
Intermediate Similarity 0.7222 NPC34877
Intermediate Similarity 0.7143 NPC82512
Intermediate Similarity 0.7091 NPC143326
Intermediate Similarity 0.7073 NPC227267
Remote Similarity 0.6964 NPC477763
Remote Similarity 0.6964 NPC477762
Remote Similarity 0.6964 NPC155457
Remote Similarity 0.6964 NPC477750
Remote Similarity 0.6964 NPC477755
Remote Similarity 0.6964 NPC477753
Remote Similarity 0.6964 NPC477757
Remote Similarity 0.6964 NPC472026
Remote Similarity 0.6905 NPC325034
Remote Similarity 0.6905 NPC293908
Remote Similarity 0.6905 NPC192065
Remote Similarity 0.6905 NPC86412
Remote Similarity 0.6905 NPC66052
Remote Similarity 0.6863 NPC329095
Remote Similarity 0.6744 NPC313405
Remote Similarity 0.6735 NPC88638
Remote Similarity 0.6731 NPC103672
Remote Similarity 0.6731 NPC320043
Remote Similarity 0.6724 NPC317651
Remote Similarity 0.6724 NPC268243
Remote Similarity 0.6724 NPC277570
Remote Similarity 0.6724 NPC325773
Remote Similarity 0.6724 NPC258690
Remote Similarity 0.6667 NPC301586
Remote Similarity 0.6667 NPC33415
Remote Similarity 0.6667 NPC107091
Remote Similarity 0.6667 NPC207656
Remote Similarity 0.661 NPC294813
Remote Similarity 0.661 NPC31496
Remote Similarity 0.661 NPC13143
Remote Similarity 0.661 NPC6848
Remote Similarity 0.6522 NPC88278
Remote Similarity 0.6522 NPC111882
Remote Similarity 0.6522 NPC227707
Remote Similarity 0.6522 NPC99573
Remote Similarity 0.6522 NPC102981
Remote Similarity 0.65 NPC471760
Remote Similarity 0.65 NPC471761
Remote Similarity 0.65 NPC76881
Remote Similarity 0.65 NPC12040
Remote Similarity 0.65 NPC190418
Remote Similarity 0.65 NPC147292
Remote Similarity 0.641 NPC320326
Remote Similarity 0.6393 NPC477752
Remote Similarity 0.6393 NPC477756
Remote Similarity 0.6393 NPC477764
Remote Similarity 0.6393 NPC477751
Remote Similarity 0.6393 NPC129100
Remote Similarity 0.6393 NPC322801
Remote Similarity 0.6393 NPC291650
Remote Similarity 0.629 NPC477761
Remote Similarity 0.629 NPC32148
Remote Similarity 0.629 NPC477754
Remote Similarity 0.629 NPC206601
Remote Similarity 0.629 NPC477759
Remote Similarity 0.629 NPC477760
Remote Similarity 0.629 NPC477758
Remote Similarity 0.6275 NPC112363
Remote Similarity 0.619 NPC250619
Remote Similarity 0.619 NPC50228
Remote Similarity 0.619 NPC67099
Remote Similarity 0.619 NPC97736
Remote Similarity 0.6154 NPC46254
Remote Similarity 0.614 NPC220922
Remote Similarity 0.6094 NPC241265
Remote Similarity 0.6094 NPC211428
Remote Similarity 0.6094 NPC223174
Remote Similarity 0.6094 NPC327753
Remote Similarity 0.6094 NPC285003
Remote Similarity 0.6094 NPC327486
Remote Similarity 0.6087 NPC473991
Remote Similarity 0.6 NPC471879
Remote Similarity 0.6 NPC53760
Remote Similarity 0.6 NPC474078
Remote Similarity 0.6 NPC52268
Remote Similarity 0.6 NPC272307
Remote Similarity 0.5918 NPC313565
Remote Similarity 0.5918 NPC228782
Remote Similarity 0.5918 NPC259982
Remote Similarity 0.5909 NPC185419
Remote Similarity 0.5909 NPC184550
Remote Similarity 0.5821 NPC225748
Remote Similarity 0.5821 NPC132938
Remote Similarity 0.5821 NPC39266
Remote Similarity 0.5821 NPC308096
Remote Similarity 0.5821 NPC163812
Remote Similarity 0.5821 NPC206823
Remote Similarity 0.5821 NPC55652
Remote Similarity 0.5821 NPC9763
Remote Similarity 0.5821 NPC248427
Remote Similarity 0.5821 NPC169085
Remote Similarity 0.5821 NPC291228
Remote Similarity 0.5781 NPC179823
Remote Similarity 0.5769 NPC314613
Remote Similarity 0.575 NPC128335
Remote Similarity 0.5735 NPC166250
Remote Similarity 0.5735 NPC472173
Remote Similarity 0.5735 NPC308489
Remote Similarity 0.5735 NPC472174
Remote Similarity 0.5686 NPC242655
Remote Similarity 0.5686 NPC38891
Remote Similarity 0.5686 NPC62014
Remote Similarity 0.5641 NPC199270
Remote Similarity 0.5641 NPC157340
Remote Similarity 0.5614 NPC289979

Drug Structure

External Identifiers

TTD   DIB003954
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  150.05
ALogP  -2.0027
MLogP  1.46
XLogP  -1.454
HDA  5
HBD  4
Rotatable Bonds  4
TPSA  90.15
RO5 Violation  0