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:  Phase 4
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8205

Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 1.0 NPC307739
High Similarity 1.0 NPC76217
High Similarity 1.0 NPC178595
High Similarity 1.0 NPC607709
High Similarity 1.0 NPC609616
High Similarity 1.0 NPC611841
Intermediate Similarity 0.8462 NPC212144
Intermediate Similarity 0.8 NPC717
Intermediate Similarity 0.8 NPC321766
Intermediate Similarity 0.8 NPC222792
Intermediate Similarity 0.8 NPC5505
Intermediate Similarity 0.8 NPC316217
Intermediate Similarity 0.8 NPC64777
Intermediate Similarity 0.8 NPC230995
Intermediate Similarity 0.8 NPC575868
Intermediate Similarity 0.8 NPC602868
Intermediate Similarity 0.8 NPC603429
Intermediate Similarity 0.7857 NPC100742
Intermediate Similarity 0.7857 NPC97444
Intermediate Similarity 0.7857 NPC24751
Intermediate Similarity 0.7857 NPC600047
Intermediate Similarity 0.7333 NPC88579
Intermediate Similarity 0.7333 NPC216980
Intermediate Similarity 0.7333 NPC319132
Intermediate Similarity 0.7333 NPC3525
Intermediate Similarity 0.7059 NPC328367
Intermediate Similarity 0.7059 NPC325302
Intermediate Similarity 0.7059 NPC111138
Intermediate Similarity 0.7059 NPC39289
Remote Similarity 0.6875 NPC321991
Remote Similarity 0.6875 NPC170339
Remote Similarity 0.6875 NPC118452
Remote Similarity 0.6875 NPC320275
Remote Similarity 0.6667 NPC214962
Remote Similarity 0.6667 NPC251825
Remote Similarity 0.6667 NPC319680
Remote Similarity 0.6667 NPC325748
Remote Similarity 0.6667 NPC607893
Remote Similarity 0.6471 NPC141509
Remote Similarity 0.6471 NPC19044
Remote Similarity 0.6471 NPC196612
Remote Similarity 0.6471 NPC51260
Remote Similarity 0.6471 NPC161894
Remote Similarity 0.6471 NPC232680
Remote Similarity 0.6471 NPC303712
Remote Similarity 0.6471 NPC3357
Remote Similarity 0.6471 NPC192402
Remote Similarity 0.6471 NPC600708
Remote Similarity 0.6471 NPC604016
Remote Similarity 0.6471 NPC606288
Remote Similarity 0.6429 NPC101
Remote Similarity 0.6429 NPC165122
Remote Similarity 0.6429 NPC574747
Remote Similarity 0.6429 NPC611377
Remote Similarity 0.6316 NPC604882
Remote Similarity 0.625 NPC250870
Remote Similarity 0.625 NPC490959
Remote Similarity 0.625 NPC191084
Remote Similarity 0.625 NPC609162
Remote Similarity 0.6111 NPC35661
Remote Similarity 0.6111 NPC324626
Remote Similarity 0.6111 NPC89161
Remote Similarity 0.6111 NPC328012
Remote Similarity 0.6111 NPC322110
Remote Similarity 0.6111 NPC492873
Remote Similarity 0.6111 NPC499658
Remote Similarity 0.6111 NPC505137
Remote Similarity 0.6111 NPC506157
Remote Similarity 0.6111 NPC557693
Remote Similarity 0.6111 NPC571073
Remote Similarity 0.6 NPC159089
Remote Similarity 0.6 NPC321840
Remote Similarity 0.6 NPC273930
Remote Similarity 0.6 NPC493472
Remote Similarity 0.5882 NPC73496
Remote Similarity 0.5882 NPC325414
Remote Similarity 0.5882 NPC140800
Remote Similarity 0.5882 NPC319723
Remote Similarity 0.5882 NPC326501
Remote Similarity 0.5882 NPC249126
Remote Similarity 0.5882 NPC500332
Remote Similarity 0.5882 NPC600824
Remote Similarity 0.5789 NPC43169
Remote Similarity 0.5789 NPC327895
Remote Similarity 0.5789 NPC112224
Remote Similarity 0.5789 NPC69289
Remote Similarity 0.5789 NPC185339
Remote Similarity 0.5789 NPC602393
Remote Similarity 0.5789 NPC604906
Remote Similarity 0.5789 NPC609420
Remote Similarity 0.5714 NPC230726
Remote Similarity 0.5714 NPC181153
Remote Similarity 0.5714 NPC607934
Remote Similarity 0.5556 NPC325517
Remote Similarity 0.5556 NPC206169
Remote Similarity 0.5556 NPC490000
Remote Similarity 0.55 NPC273027
Remote Similarity 0.55 NPC26996
Remote Similarity 0.55 NPC327012
Remote Similarity 0.5455 NPC317382
Remote Similarity 0.5455 NPC143878
Remote Similarity 0.5455 NPC137590
Remote Similarity 0.5455 NPC321127
Remote Similarity 0.5455 NPC53921
Remote Similarity 0.5455 NPC35026
Remote Similarity 0.5455 NPC319167
Remote Similarity 0.5455 NPC323875
Remote Similarity 0.5455 NPC491263
Remote Similarity 0.5455 NPC584841
Remote Similarity 0.5385 NPC68873
Remote Similarity 0.5333 NPC611729
Remote Similarity 0.5333 NPC323757
Remote Similarity 0.5333 NPC320218
Remote Similarity 0.5333 NPC601802
Remote Similarity 0.5333 NPC328569
Remote Similarity 0.5333 NPC317121
Remote Similarity 0.5333 NPC306598
Remote Similarity 0.5333 NPC152099
Remote Similarity 0.5333 NPC604184
Remote Similarity 0.5294 NPC320704
Remote Similarity 0.5294 NPC286485
Remote Similarity 0.5294 NPC544098
Remote Similarity 0.5263 NPC196676
Remote Similarity 0.5263 NPC270805
Remote Similarity 0.5263 NPC317180
Remote Similarity 0.5263 NPC293378
Remote Similarity 0.5263 NPC326522
Remote Similarity 0.5263 NPC297124
Remote Similarity 0.5263 NPC93888
Remote Similarity 0.5263 NPC324105
Remote Similarity 0.5263 NPC310220
Remote Similarity 0.5263 NPC325741
Remote Similarity 0.5263 NPC604873
Remote Similarity 0.5263 NPC611612
Remote Similarity 0.5263 NPC611820
Remote Similarity 0.5238 NPC215862
Remote Similarity 0.5238 NPC6883
Remote Similarity 0.5238 NPC193778
Remote Similarity 0.5238 NPC38891
Remote Similarity 0.5238 NPC242655
Remote Similarity 0.5238 NPC322276
Remote Similarity 0.5238 NPC115685
Remote Similarity 0.5238 NPC105881
Remote Similarity 0.5238 NPC13243
Remote Similarity 0.5238 NPC315623
Remote Similarity 0.5238 NPC490505
Remote Similarity 0.5238 NPC524601
Remote Similarity 0.5238 NPC592655
Remote Similarity 0.5238 NPC606363
Remote Similarity 0.5238 NPC608105
Remote Similarity 0.5238 NPC610224
Remote Similarity 0.5238 NPC610267

Drug Structure

External Identifiers

TTD   DIB016299
DrugBank   DB04398
ChEMBL   CHEMBL1200559
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D00111
PubChem CID   0
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