Drug Information

Drug ID:  NPD8225
Drug Name:  Propylene Glycol
Molecular Formula:  C3H8O2
Canonical SMILES:  OCC(O)C
Standard InCHI:  InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
Standard InCHIKey:  DNIAPMSPPWPWGF-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8225

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 NPC114270
High Similarity 0.9565 NPC140389
High Similarity 0.913 NPC157340
Intermediate Similarity 0.8261 NPC299484
Intermediate Similarity 0.8182 NPC163707
Intermediate Similarity 0.8077 NPC272307
Intermediate Similarity 0.8077 NPC320326
Intermediate Similarity 0.8 NPC88887
Intermediate Similarity 0.7917 NPC39977
Intermediate Similarity 0.7778 NPC301586
Intermediate Similarity 0.7778 NPC33415
Intermediate Similarity 0.7727 NPC311000
Intermediate Similarity 0.76 NPC245688
Intermediate Similarity 0.7391 NPC236761
Intermediate Similarity 0.7308 NPC190797
Intermediate Similarity 0.7308 NPC304786
Intermediate Similarity 0.7308 NPC232554
Intermediate Similarity 0.7273 NPC149567
Intermediate Similarity 0.7083 NPC294703
Intermediate Similarity 0.7037 NPC560
Intermediate Similarity 0.7037 NPC128335
Intermediate Similarity 0.7 NPC76217
Intermediate Similarity 0.7 NPC266566
Intermediate Similarity 0.7 NPC31433
Intermediate Similarity 0.7 NPC317060
Intermediate Similarity 0.7 NPC187058
Intermediate Similarity 0.7 NPC149070
Intermediate Similarity 0.7 NPC197207
Intermediate Similarity 0.7 NPC307739
Intermediate Similarity 0.7 NPC321170
Intermediate Similarity 0.7 NPC182541
Intermediate Similarity 0.7 NPC127074
Remote Similarity 0.6923 NPC87529
Remote Similarity 0.6923 NPC237965
Remote Similarity 0.6923 NPC94144
Remote Similarity 0.6923 NPC318912
Remote Similarity 0.6897 NPC270334
Remote Similarity 0.68 NPC88839
Remote Similarity 0.68 NPC110344
Remote Similarity 0.68 NPC219266
Remote Similarity 0.6667 NPC313405
Remote Similarity 0.6667 NPC5505
Remote Similarity 0.6562 NPC227267
Remote Similarity 0.6552 NPC238135
Remote Similarity 0.6552 NPC52362
Remote Similarity 0.6552 NPC159845
Remote Similarity 0.6538 NPC52403
Remote Similarity 0.6452 NPC261351
Remote Similarity 0.6429 NPC317724
Remote Similarity 0.6429 NPC252154
Remote Similarity 0.6364 NPC325165
Remote Similarity 0.6364 NPC66052
Remote Similarity 0.6364 NPC325034
Remote Similarity 0.6364 NPC2724
Remote Similarity 0.6364 NPC192065
Remote Similarity 0.6364 NPC86412
Remote Similarity 0.6364 NPC293908
Remote Similarity 0.6333 NPC110884
Remote Similarity 0.6296 NPC23071
Remote Similarity 0.6296 NPC199270
Remote Similarity 0.6296 NPC256186
Remote Similarity 0.6176 NPC103612
Remote Similarity 0.6176 NPC24967
Remote Similarity 0.6111 NPC222792
Remote Similarity 0.6111 NPC316217
Remote Similarity 0.6071 NPC272690
Remote Similarity 0.6071 NPC275462
Remote Similarity 0.6071 NPC82694
Remote Similarity 0.6071 NPC213764
Remote Similarity 0.6 NPC325345
Remote Similarity 0.5946 NPC320331
Remote Similarity 0.5938 NPC122962
Remote Similarity 0.5882 NPC191084
Remote Similarity 0.5882 NPC250870
Remote Similarity 0.5882 NPC168052
Remote Similarity 0.5862 NPC230452
Remote Similarity 0.5862 NPC329496
Remote Similarity 0.5769 NPC106054
Remote Similarity 0.5758 NPC1748
Remote Similarity 0.5758 NPC319034
Remote Similarity 0.5758 NPC193062
Remote Similarity 0.5758 NPC66124
Remote Similarity 0.5758 NPC72324
Remote Similarity 0.5714 NPC159089
Remote Similarity 0.5714 NPC474914
Remote Similarity 0.5714 NPC474392
Remote Similarity 0.5667 NPC39869
Remote Similarity 0.5667 NPC276332
Remote Similarity 0.5625 NPC141902
Remote Similarity 0.56 NPC34153
Remote Similarity 0.56 NPC152773

Drug Structure

External Identifiers

TTD  
DrugBank   DB01839
ChEMBL   CHEMBL286398
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D00078
PubChem CID  
ChEBI   16997
CAS Number  57-55-6

Drug Properties

Molecular Weight  76.05
ALogP  -0.9081
MLogP  1.57
XLogP  -0.748
HDA  2
HBD  2
Rotatable Bonds  4
TPSA  40.46
RO5 Violation  0