Drug Information

Drug ID:  NPD8619
Drug Name:  Gamma Hydroxybutyric Acid
Molecular Formula:  C4H8O3
Canonical SMILES:  OCCCC(=O)[O-]
Standard InCHI:  InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)/p-1
Standard InCHIKey:  SJZRECIVHVDYJC-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; DrugBank

  Structural Similarity Between NPASS Natural Products and NPD8619

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 0.9643 NPC198126
Intermediate Similarity 0.8438 NPC316685
Intermediate Similarity 0.8276 NPC236709
Intermediate Similarity 0.7586 NPC149209
Intermediate Similarity 0.7353 NPC250870
Intermediate Similarity 0.7353 NPC317203
Intermediate Similarity 0.7353 NPC168052
Intermediate Similarity 0.7353 NPC191084
Intermediate Similarity 0.7143 NPC5505
Intermediate Similarity 0.7105 NPC100742
Intermediate Similarity 0.7105 NPC19044
Intermediate Similarity 0.7105 NPC192402
Intermediate Similarity 0.7105 NPC97444
Intermediate Similarity 0.7105 NPC121018
Intermediate Similarity 0.7105 NPC35661
Intermediate Similarity 0.7105 NPC24751
Intermediate Similarity 0.7097 NPC234005
Remote Similarity 0.6875 NPC292641
Remote Similarity 0.6875 NPC151140
Remote Similarity 0.6875 NPC104195
Remote Similarity 0.6875 NPC174368
Remote Similarity 0.6875 NPC61066
Remote Similarity 0.6875 NPC180423
Remote Similarity 0.6875 NPC122768
Remote Similarity 0.6786 NPC219266
Remote Similarity 0.6786 NPC181153
Remote Similarity 0.6774 NPC143211
Remote Similarity 0.6765 NPC108238
Remote Similarity 0.6667 NPC320981
Remote Similarity 0.6667 NPC1037
Remote Similarity 0.6667 NPC28246
Remote Similarity 0.6585 NPC38891
Remote Similarity 0.6585 NPC242655
Remote Similarity 0.6579 NPC316217
Remote Similarity 0.6579 NPC222792
Remote Similarity 0.6571 NPC7814
Remote Similarity 0.6486 NPC321569
Remote Similarity 0.6471 NPC76217
Remote Similarity 0.6471 NPC280532
Remote Similarity 0.6471 NPC307739
Remote Similarity 0.6452 NPC166804
Remote Similarity 0.6452 NPC230726
Remote Similarity 0.6452 NPC314668
Remote Similarity 0.6286 NPC328710
Remote Similarity 0.6286 NPC125575
Remote Similarity 0.6286 NPC175342
Remote Similarity 0.6286 NPC18224
Remote Similarity 0.625 NPC283626
Remote Similarity 0.6176 NPC21374
Remote Similarity 0.6129 NPC32280
Remote Similarity 0.6129 NPC165122
Remote Similarity 0.6129 NPC41485
Remote Similarity 0.6129 NPC3693
Remote Similarity 0.6111 NPC127142
Remote Similarity 0.6111 NPC307027
Remote Similarity 0.6053 NPC317945
Remote Similarity 0.6053 NPC206924
Remote Similarity 0.6 NPC328954
Remote Similarity 0.6 NPC12904
Remote Similarity 0.6 NPC240109
Remote Similarity 0.6 NPC8187
Remote Similarity 0.5952 NPC319680
Remote Similarity 0.5946 NPC325165
Remote Similarity 0.5938 NPC259649
Remote Similarity 0.5938 NPC3343
Remote Similarity 0.5938 NPC286233
Remote Similarity 0.5909 NPC136159
Remote Similarity 0.5897 NPC128713
Remote Similarity 0.5882 NPC248139
Remote Similarity 0.5882 NPC270334
Remote Similarity 0.5862 NPC294703
Remote Similarity 0.5833 NPC41007
Remote Similarity 0.5833 NPC168714
Remote Similarity 0.5833 NPC35371
Remote Similarity 0.5833 NPC217218
Remote Similarity 0.5833 NPC286695
Remote Similarity 0.5833 NPC99700
Remote Similarity 0.5833 NPC178643
Remote Similarity 0.5806 NPC199270
Remote Similarity 0.5806 NPC110107
Remote Similarity 0.5789 NPC24967
Remote Similarity 0.5789 NPC159089
Remote Similarity 0.5789 NPC155263
Remote Similarity 0.5789 NPC321699
Remote Similarity 0.5789 NPC103612
Remote Similarity 0.5789 NPC134782
Remote Similarity 0.5758 NPC320326
Remote Similarity 0.5758 NPC248233
Remote Similarity 0.5758 NPC320704
Remote Similarity 0.5714 NPC313565
Remote Similarity 0.5714 NPC302611
Remote Similarity 0.5714 NPC228782
Remote Similarity 0.5714 NPC259982
Remote Similarity 0.5714 NPC169098
Remote Similarity 0.5714 NPC68873
Remote Similarity 0.5714 NPC241404
Remote Similarity 0.5714 NPC16947
Remote Similarity 0.5682 NPC309658
Remote Similarity 0.5682 NPC12438
Remote Similarity 0.5682 NPC30195
Remote Similarity 0.5676 NPC154396
Remote Similarity 0.5652 NPC46254
Remote Similarity 0.5641 NPC158179
Remote Similarity 0.5641 NPC252843
Remote Similarity 0.5641 NPC109026
Remote Similarity 0.5625 NPC277878
Remote Similarity 0.5625 NPC213764
Remote Similarity 0.5625 NPC88887
Remote Similarity 0.5625 NPC82694
Remote Similarity 0.561 NPC320331

Drug Structure

External Identifiers

TTD   DAP001522
DrugBank   DB01440
ChEMBL  
IUPHAR/BPS  
PharmaGKB   PA10819
KEGG Drug  
PubChem CID   23663870
ChEBI   16724
CAS Number  591-81-1

Drug Properties

Molecular Weight  103.04
ALogP  -1.6195
MLogP  1.57
XLogP  -1.082
HDA  3
HBD  1
Rotatable Bonds  5
TPSA  60.36
RO5 Violation  0