Drug Information

Drug ID:  NPD8814
Drug Name:  Xylitol
Molecular Formula:  C5H12O5
Canonical SMILES:  OC[C@H]([C@@H]([C@H](CO)O)O)O
Standard InCHI:  InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+
Standard InCHIKey:  HEBKCHPVOIAQTA-SCDXWVJYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8814

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 NPC127074
High Similarity 1.0 NPC197207
High Similarity 1.0 NPC187058
High Similarity 1.0 NPC149070
High Similarity 1.0 NPC182541
High Similarity 0.9062 NPC192065
High Similarity 0.9062 NPC86412
High Similarity 0.9062 NPC66052
High Similarity 0.9062 NPC293908
High Similarity 0.9062 NPC325034
High Similarity 0.8966 NPC33415
High Similarity 0.8966 NPC301586
High Similarity 0.8621 NPC320326
Intermediate Similarity 0.7838 NPC227707
Intermediate Similarity 0.7838 NPC266553
Intermediate Similarity 0.7838 NPC111882
Intermediate Similarity 0.7838 NPC88278
Intermediate Similarity 0.7838 NPC102981
Intermediate Similarity 0.7838 NPC99573
Intermediate Similarity 0.7647 NPC227267
Intermediate Similarity 0.7586 NPC199270
Intermediate Similarity 0.7586 NPC157340
Intermediate Similarity 0.7436 NPC298699
Intermediate Similarity 0.7436 NPC228782
Intermediate Similarity 0.7436 NPC313565
Intermediate Similarity 0.7436 NPC213159
Intermediate Similarity 0.7436 NPC86191
Intermediate Similarity 0.7436 NPC320189
Intermediate Similarity 0.7436 NPC134252
Intermediate Similarity 0.7436 NPC291502
Intermediate Similarity 0.7436 NPC259982
Intermediate Similarity 0.7436 NPC317182
Intermediate Similarity 0.7333 NPC140389
Intermediate Similarity 0.7333 NPC88887
Intermediate Similarity 0.725 NPC70756
Intermediate Similarity 0.725 NPC29721
Intermediate Similarity 0.725 NPC320240
Intermediate Similarity 0.7097 NPC252154
Intermediate Similarity 0.7097 NPC560
Intermediate Similarity 0.7073 NPC207656
Intermediate Similarity 0.7073 NPC107091
Intermediate Similarity 0.7 NPC114270
Intermediate Similarity 0.7 NPC245688
Remote Similarity 0.6905 NPC255377
Remote Similarity 0.6905 NPC176017
Remote Similarity 0.6905 NPC73906
Remote Similarity 0.6905 NPC165846
Remote Similarity 0.6905 NPC289758
Remote Similarity 0.6905 NPC285364
Remote Similarity 0.6905 NPC199857
Remote Similarity 0.6905 NPC21209
Remote Similarity 0.6905 NPC69445
Remote Similarity 0.6905 NPC92246
Remote Similarity 0.6897 NPC219266
Remote Similarity 0.6774 NPC232554
Remote Similarity 0.6774 NPC213764
Remote Similarity 0.6744 NPC252918
Remote Similarity 0.6744 NPC88638
Remote Similarity 0.6744 NPC314613
Remote Similarity 0.6744 NPC321087
Remote Similarity 0.6744 NPC230789
Remote Similarity 0.6744 NPC277475
Remote Similarity 0.6667 NPC52403
Remote Similarity 0.6667 NPC270088
Remote Similarity 0.6667 NPC38891
Remote Similarity 0.6667 NPC242655
Remote Similarity 0.6667 NPC325345
Remote Similarity 0.6667 NPC39977
Remote Similarity 0.6667 NPC159845
Remote Similarity 0.6591 NPC172086
Remote Similarity 0.6591 NPC112363
Remote Similarity 0.6591 NPC247546
Remote Similarity 0.6591 NPC14144
Remote Similarity 0.6571 NPC31433
Remote Similarity 0.6571 NPC266566
Remote Similarity 0.6571 NPC321170
Remote Similarity 0.65 NPC320331
Remote Similarity 0.6471 NPC110884
Remote Similarity 0.6444 NPC82512
Remote Similarity 0.6444 NPC42503
Remote Similarity 0.6444 NPC325822
Remote Similarity 0.6444 NPC61270
Remote Similarity 0.6444 NPC299781
Remote Similarity 0.6444 NPC157193
Remote Similarity 0.6444 NPC282143
Remote Similarity 0.6364 NPC272307
Remote Similarity 0.6341 NPC35661
Remote Similarity 0.6333 NPC299484
Remote Similarity 0.6304 NPC322158
Remote Similarity 0.6304 NPC329128
Remote Similarity 0.6304 NPC323574
Remote Similarity 0.6279 NPC62014
Remote Similarity 0.625 NPC275462
Remote Similarity 0.6207 NPC236761
Remote Similarity 0.617 NPC233726
Remote Similarity 0.617 NPC326533
Remote Similarity 0.617 NPC23134
Remote Similarity 0.617 NPC329095
Remote Similarity 0.617 NPC124963
Remote Similarity 0.6111 NPC122962
Remote Similarity 0.6111 NPC267243
Remote Similarity 0.6111 NPC317060
Remote Similarity 0.6087 NPC46254
Remote Similarity 0.6061 NPC128335
Remote Similarity 0.6042 NPC277878
Remote Similarity 0.6042 NPC320043
Remote Similarity 0.6042 NPC321102
Remote Similarity 0.6042 NPC322803
Remote Similarity 0.6042 NPC278465
Remote Similarity 0.6042 NPC103672
Remote Similarity 0.6042 NPC325153
Remote Similarity 0.6 NPC294703
Remote Similarity 0.5952 NPC100742
Remote Similarity 0.5952 NPC121018
Remote Similarity 0.5952 NPC192402
Remote Similarity 0.5952 NPC19044
Remote Similarity 0.5952 NPC97444
Remote Similarity 0.5952 NPC24751
Remote Similarity 0.5946 NPC66124
Remote Similarity 0.5946 NPC193062
Remote Similarity 0.5946 NPC72324
Remote Similarity 0.5946 NPC319034
Remote Similarity 0.5946 NPC1748
Remote Similarity 0.5938 NPC87529
Remote Similarity 0.5938 NPC94144
Remote Similarity 0.5918 NPC145112
Remote Similarity 0.5918 NPC242073
Remote Similarity 0.5918 NPC323361
Remote Similarity 0.5918 NPC269166
Remote Similarity 0.5918 NPC130683
Remote Similarity 0.5918 NPC246558
Remote Similarity 0.5918 NPC157514
Remote Similarity 0.5918 NPC19676
Remote Similarity 0.5918 NPC314821
Remote Similarity 0.5918 NPC107914
Remote Similarity 0.5918 NPC89145
Remote Similarity 0.5918 NPC67660
Remote Similarity 0.5918 NPC317501
Remote Similarity 0.5918 NPC317626
Remote Similarity 0.5918 NPC323401
Remote Similarity 0.5918 NPC165198
Remote Similarity 0.5918 NPC196612
Remote Similarity 0.5918 NPC58629
Remote Similarity 0.5897 NPC474914
Remote Similarity 0.5897 NPC313405
Remote Similarity 0.5897 NPC474392
Remote Similarity 0.5897 NPC5505
Remote Similarity 0.5882 NPC39869
Remote Similarity 0.5882 NPC276332
Remote Similarity 0.5833 NPC200772
Remote Similarity 0.58 NPC6883
Remote Similarity 0.58 NPC303727
Remote Similarity 0.58 NPC327257
Remote Similarity 0.5758 NPC304786
Remote Similarity 0.5758 NPC190797
Remote Similarity 0.5714 NPC300235
Remote Similarity 0.5714 NPC244869
Remote Similarity 0.5714 NPC52362
Remote Similarity 0.5714 NPC476149
Remote Similarity 0.5714 NPC238135
Remote Similarity 0.5714 NPC476136
Remote Similarity 0.5714 NPC279895
Remote Similarity 0.5682 NPC319680
Remote Similarity 0.5667 NPC163707
Remote Similarity 0.5652 NPC8597
Remote Similarity 0.5641 NPC168052
Remote Similarity 0.5641 NPC97967
Remote Similarity 0.5641 NPC191084
Remote Similarity 0.5641 NPC250870

Drug Structure

External Identifiers

TTD  
DrugBank   DB01904
ChEMBL   CHEMBL96783
IUPHAR/BPS  
PharmaGKB   PA451938
KEGG Drug  
PubChem CID  
ChEBI   17151
CAS Number  488-81-3

Drug Properties

Molecular Weight  152.07
ALogP  -2.4295
MLogP  1.46
XLogP  -3.224
HDA  5
HBD  5
Rotatable Bonds  9
TPSA  101.15
RO5 Violation  0