Drug Information

Drug ID:  NPD8205
Drug Name:  Lactic Acid
Molecular Formula:  C3H6O3
Canonical SMILES:  OC(=O)C(O)C
Standard InCHI:  InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
Standard InCHIKey:  JVTAAEKCZFNVCJ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8205

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 NPC76217
High Similarity 1.0 NPC307739
High Similarity 0.8788 NPC5505
Intermediate Similarity 0.8485 NPC325165
Intermediate Similarity 0.8235 NPC159089
Intermediate Similarity 0.8235 NPC103612
Intermediate Similarity 0.8235 NPC24967
Intermediate Similarity 0.8056 NPC222792
Intermediate Similarity 0.8056 NPC316217
Intermediate Similarity 0.7931 NPC165122
Intermediate Similarity 0.7667 NPC286233
Intermediate Similarity 0.7576 NPC212144
Intermediate Similarity 0.7576 NPC261351
Intermediate Similarity 0.75 NPC270334
Intermediate Similarity 0.725 NPC319680
Intermediate Similarity 0.7188 NPC316272
Intermediate Similarity 0.7179 NPC100742
Intermediate Similarity 0.7179 NPC24751
Intermediate Similarity 0.7179 NPC121018
Intermediate Similarity 0.7179 NPC322956
Intermediate Similarity 0.7179 NPC192402
Intermediate Similarity 0.7179 NPC325307
Intermediate Similarity 0.7179 NPC97444
Intermediate Similarity 0.7179 NPC35661
Intermediate Similarity 0.7179 NPC19044
Intermediate Similarity 0.7 NPC114270
Remote Similarity 0.697 NPC292641
Remote Similarity 0.6944 NPC250870
Remote Similarity 0.6944 NPC168052
Remote Similarity 0.6944 NPC191084
Remote Similarity 0.6897 NPC181153
Remote Similarity 0.6774 NPC140389
Remote Similarity 0.6774 NPC82694
Remote Similarity 0.6667 NPC38891
Remote Similarity 0.6667 NPC242655
Remote Similarity 0.65 NPC320331
Remote Similarity 0.6452 NPC157340
Remote Similarity 0.6429 NPC320624
Remote Similarity 0.6429 NPC318951
Remote Similarity 0.6286 NPC5934
Remote Similarity 0.6286 NPC198126
Remote Similarity 0.6216 NPC307027
Remote Similarity 0.6216 NPC127142
Remote Similarity 0.6176 NPC88135
Remote Similarity 0.6129 NPC307812
Remote Similarity 0.6111 NPC329270
Remote Similarity 0.6087 NPC328954
Remote Similarity 0.6061 NPC149209
Remote Similarity 0.6061 NPC127134
Remote Similarity 0.6061 NPC230726
Remote Similarity 0.6061 NPC314668
Remote Similarity 0.6053 NPC316685
Remote Similarity 0.6 NPC328950
Remote Similarity 0.5882 NPC320326
Remote Similarity 0.5882 NPC272307
Remote Similarity 0.5862 NPC68873
Remote Similarity 0.5833 NPC320981
Remote Similarity 0.5814 NPC228782
Remote Similarity 0.5814 NPC313565
Remote Similarity 0.5814 NPC259982
Remote Similarity 0.5806 NPC299484
Remote Similarity 0.5758 NPC41485
Remote Similarity 0.5758 NPC88887
Remote Similarity 0.5758 NPC32280
Remote Similarity 0.575 NPC317945
Remote Similarity 0.575 NPC109026
Remote Similarity 0.5714 NPC33415
Remote Similarity 0.5714 NPC301586
Remote Similarity 0.5714 NPC277878
Remote Similarity 0.5676 NPC281883
Remote Similarity 0.5667 NPC163707
Remote Similarity 0.5667 NPC301950
Remote Similarity 0.5641 NPC317203
Remote Similarity 0.5625 NPC39977
Remote Similarity 0.5625 NPC8187
Remote Similarity 0.561 NPC38930
Remote Similarity 0.56 NPC19676
Remote Similarity 0.56 NPC196612
Remote Similarity 0.56 NPC323401

Drug Structure

External Identifiers

TTD   DIB016299
DrugBank   DB04398
ChEMBL   CHEMBL1200559
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D00111
PubChem CID  
ChEBI   78320
CAS Number  50-21-5

Drug Properties

Molecular Weight  90.03
ALogP  -0.8059
MLogP  1.46
XLogP  -0.591
HDA  3
HBD  2
Rotatable Bonds  4
TPSA  57.53
RO5 Violation  0