Drug Information

Drug ID:  NPD8226
Drug Name:  Glycerin
Molecular Formula:  C3H8O3
Canonical SMILES:  OCC(CO)O
Standard InCHI:  InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
Standard InCHIKey:  PEDCQBHIVMGVHV-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8226

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 NPC157340
High Similarity 0.913 NPC114270
High Similarity 0.88 NPC320326
High Similarity 0.875 NPC140389
Intermediate Similarity 0.8462 NPC33415
Intermediate Similarity 0.8462 NPC301586
Intermediate Similarity 0.8182 NPC236761
Intermediate Similarity 0.8 NPC88887
Intermediate Similarity 0.7586 NPC321170
Intermediate Similarity 0.7586 NPC31433
Intermediate Similarity 0.7586 NPC266566
Intermediate Similarity 0.7586 NPC127074
Intermediate Similarity 0.7586 NPC182541
Intermediate Similarity 0.7586 NPC187058
Intermediate Similarity 0.7586 NPC149070
Intermediate Similarity 0.7586 NPC197207
Intermediate Similarity 0.75 NPC299484
Intermediate Similarity 0.7407 NPC272307
Intermediate Similarity 0.7391 NPC163707
Intermediate Similarity 0.7273 NPC149567
Intermediate Similarity 0.72 NPC39977
Intermediate Similarity 0.7 NPC317060
Remote Similarity 0.6957 NPC311000
Remote Similarity 0.6923 NPC87529
Remote Similarity 0.6923 NPC245688
Remote Similarity 0.6923 NPC94144
Remote Similarity 0.6875 NPC86412
Remote Similarity 0.6875 NPC293908
Remote Similarity 0.6875 NPC325034
Remote Similarity 0.6875 NPC192065
Remote Similarity 0.6875 NPC66052
Remote Similarity 0.68 NPC219266
Remote Similarity 0.6667 NPC313405
Remote Similarity 0.6667 NPC82694
Remote Similarity 0.6667 NPC232554
Remote Similarity 0.6667 NPC190797
Remote Similarity 0.6667 NPC304786
Remote Similarity 0.6562 NPC227267
Remote Similarity 0.6452 NPC76217
Remote Similarity 0.6452 NPC261351
Remote Similarity 0.6452 NPC307739
Remote Similarity 0.6429 NPC128335
Remote Similarity 0.6429 NPC252154
Remote Similarity 0.6429 NPC560
Remote Similarity 0.64 NPC294703
Remote Similarity 0.6333 NPC270334
Remote Similarity 0.6296 NPC237965
Remote Similarity 0.6296 NPC318912
Remote Similarity 0.6296 NPC199270
Remote Similarity 0.6176 NPC5505
Remote Similarity 0.6176 NPC159089
Remote Similarity 0.6154 NPC88839
Remote Similarity 0.6154 NPC110344
Remote Similarity 0.6071 NPC213764
Remote Similarity 0.6 NPC238135
Remote Similarity 0.6 NPC159845
Remote Similarity 0.6 NPC325345
Remote Similarity 0.6 NPC52362
Remote Similarity 0.5946 NPC266553
Remote Similarity 0.5946 NPC111882
Remote Similarity 0.5946 NPC88278
Remote Similarity 0.5946 NPC227707
Remote Similarity 0.5946 NPC99573
Remote Similarity 0.5946 NPC102981
Remote Similarity 0.5926 NPC52403
Remote Similarity 0.5882 NPC191084
Remote Similarity 0.5882 NPC250870
Remote Similarity 0.5882 NPC325165
Remote Similarity 0.5882 NPC168052
Remote Similarity 0.5862 NPC230452
Remote Similarity 0.5862 NPC329496
Remote Similarity 0.5862 NPC317724
Remote Similarity 0.5806 NPC110884
Remote Similarity 0.5789 NPC35661
Remote Similarity 0.5714 NPC23071
Remote Similarity 0.5714 NPC103612
Remote Similarity 0.5714 NPC256186
Remote Similarity 0.5714 NPC24967
Remote Similarity 0.5676 NPC316217
Remote Similarity 0.5676 NPC222792
Remote Similarity 0.5652 NPC2724
Remote Similarity 0.5641 NPC313565
Remote Similarity 0.5641 NPC298699
Remote Similarity 0.5641 NPC320189
Remote Similarity 0.5641 NPC317182
Remote Similarity 0.5641 NPC134252
Remote Similarity 0.5641 NPC213159
Remote Similarity 0.5641 NPC86191
Remote Similarity 0.5641 NPC259982
Remote Similarity 0.5641 NPC228782
Remote Similarity 0.5641 NPC291502
Remote Similarity 0.56 NPC34153

Drug Structure

External Identifiers

TTD  
DrugBank   DB04077
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  92.05
ALogP  -1.4081
MLogP  1.46
XLogP  -1.88
HDA  3
HBD  3
Rotatable Bonds  5
TPSA  60.69
RO5 Violation  0