Drug Information

Drug ID:  NPD9000
Drug Name:  Galactose
Molecular Formula:  C6H12O6
Canonical SMILES:  OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI:  InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
Standard InCHIKey:  WQZGKKKJIJFFOK-PHYPRBDBSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9000

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 NPC92246
High Similarity 1.0 NPC69445
High Similarity 1.0 NPC255377
High Similarity 1.0 NPC21209
High Similarity 1.0 NPC176017
High Similarity 1.0 NPC289758
High Similarity 1.0 NPC73906
High Similarity 1.0 NPC199857
High Similarity 1.0 NPC165846
High Similarity 1.0 NPC285364
High Similarity 0.9767 NPC321087
High Similarity 0.9767 NPC277475
High Similarity 0.9545 NPC14144
High Similarity 0.9524 NPC320240
High Similarity 0.9524 NPC70756
High Similarity 0.9333 NPC42503
High Similarity 0.9333 NPC157193
High Similarity 0.9333 NPC282143
High Similarity 0.9333 NPC299781
High Similarity 0.9286 NPC317182
High Similarity 0.9286 NPC213159
High Similarity 0.9286 NPC134252
High Similarity 0.9286 NPC291502
High Similarity 0.9286 NPC86191
High Similarity 0.9286 NPC298699
High Similarity 0.913 NPC323574
High Similarity 0.8936 NPC23134
High Similarity 0.8936 NPC326533
High Similarity 0.8936 NPC124963
High Similarity 0.8936 NPC233726
High Similarity 0.881 NPC266553
High Similarity 0.8636 NPC29721
High Similarity 0.8571 NPC89145
High Similarity 0.8571 NPC67660
High Similarity 0.8571 NPC317626
High Similarity 0.8571 NPC242073
High Similarity 0.8571 NPC314821
High Similarity 0.8571 NPC130683
High Similarity 0.8571 NPC323361
High Similarity 0.8571 NPC246558
High Similarity 0.8571 NPC165198
High Similarity 0.8571 NPC145112
High Similarity 0.8571 NPC107914
High Similarity 0.8571 NPC157514
High Similarity 0.8571 NPC58629
High Similarity 0.8571 NPC317501
High Similarity 0.8571 NPC269166
Intermediate Similarity 0.8409 NPC320189
Intermediate Similarity 0.84 NPC303727
Intermediate Similarity 0.8085 NPC252918
Intermediate Similarity 0.8085 NPC230789
Intermediate Similarity 0.8077 NPC148424
Intermediate Similarity 0.7925 NPC472025
Intermediate Similarity 0.7925 NPC219040
Intermediate Similarity 0.7778 NPC320032
Intermediate Similarity 0.7778 NPC322855
Intermediate Similarity 0.7778 NPC290179
Intermediate Similarity 0.7778 NPC317023
Intermediate Similarity 0.7778 NPC34877
Intermediate Similarity 0.7755 NPC82512
Intermediate Similarity 0.7636 NPC143326
Intermediate Similarity 0.7619 NPC325034
Intermediate Similarity 0.7619 NPC86412
Intermediate Similarity 0.7619 NPC293908
Intermediate Similarity 0.7619 NPC192065
Intermediate Similarity 0.7619 NPC66052
Intermediate Similarity 0.75 NPC477763
Intermediate Similarity 0.75 NPC472026
Intermediate Similarity 0.75 NPC477750
Intermediate Similarity 0.75 NPC477762
Intermediate Similarity 0.75 NPC477753
Intermediate Similarity 0.75 NPC477755
Intermediate Similarity 0.75 NPC155457
Intermediate Similarity 0.75 NPC477757
Intermediate Similarity 0.7451 NPC329095
Intermediate Similarity 0.7347 NPC88638
Intermediate Similarity 0.7308 NPC103672
Intermediate Similarity 0.7308 NPC320043
Intermediate Similarity 0.7292 NPC207656
Intermediate Similarity 0.7292 NPC107091
Intermediate Similarity 0.7255 NPC329128
Intermediate Similarity 0.7255 NPC322158
Intermediate Similarity 0.7241 NPC277570
Intermediate Similarity 0.7241 NPC317651
Intermediate Similarity 0.7241 NPC258690
Intermediate Similarity 0.7241 NPC268243
Intermediate Similarity 0.7241 NPC325773
Intermediate Similarity 0.7174 NPC99573
Intermediate Similarity 0.7174 NPC88278
Intermediate Similarity 0.7174 NPC227707
Intermediate Similarity 0.7174 NPC111882
Intermediate Similarity 0.7174 NPC102981
Intermediate Similarity 0.7119 NPC13143
Intermediate Similarity 0.7119 NPC6848
Intermediate Similarity 0.7119 NPC31496
Intermediate Similarity 0.7119 NPC294813
Intermediate Similarity 0.7 NPC147292
Intermediate Similarity 0.7 NPC76881
Intermediate Similarity 0.7 NPC12040
Intermediate Similarity 0.7 NPC471760
Intermediate Similarity 0.7 NPC471761
Intermediate Similarity 0.7 NPC190418
Remote Similarity 0.6905 NPC149070
Remote Similarity 0.6905 NPC197207
Remote Similarity 0.6905 NPC127074
Remote Similarity 0.6905 NPC187058
Remote Similarity 0.6905 NPC182541
Remote Similarity 0.6885 NPC129100
Remote Similarity 0.6885 NPC322801
Remote Similarity 0.6885 NPC477764
Remote Similarity 0.6885 NPC477751
Remote Similarity 0.6885 NPC477756
Remote Similarity 0.6885 NPC291650
Remote Similarity 0.6885 NPC477752
Remote Similarity 0.6863 NPC112363
Remote Similarity 0.6774 NPC477761
Remote Similarity 0.6774 NPC477754
Remote Similarity 0.6774 NPC206601
Remote Similarity 0.6774 NPC477759
Remote Similarity 0.6774 NPC477758
Remote Similarity 0.6774 NPC32148
Remote Similarity 0.6774 NPC477760
Remote Similarity 0.6667 NPC67099
Remote Similarity 0.6667 NPC50228
Remote Similarity 0.6667 NPC97736
Remote Similarity 0.6667 NPC250619
Remote Similarity 0.6667 NPC220922
Remote Similarity 0.6591 NPC227267
Remote Similarity 0.6562 NPC223174
Remote Similarity 0.6562 NPC241265
Remote Similarity 0.6562 NPC327753
Remote Similarity 0.6562 NPC211428
Remote Similarity 0.6562 NPC285003
Remote Similarity 0.6562 NPC327486
Remote Similarity 0.6462 NPC471879
Remote Similarity 0.6462 NPC474078
Remote Similarity 0.6462 NPC53760
Remote Similarity 0.6462 NPC52268
Remote Similarity 0.6364 NPC184550
Remote Similarity 0.6364 NPC185419
Remote Similarity 0.6346 NPC314613
Remote Similarity 0.6304 NPC313405
Remote Similarity 0.6269 NPC308096
Remote Similarity 0.6269 NPC225748
Remote Similarity 0.6269 NPC248427
Remote Similarity 0.6269 NPC132938
Remote Similarity 0.6269 NPC9763
Remote Similarity 0.6269 NPC291228
Remote Similarity 0.6269 NPC163812
Remote Similarity 0.6269 NPC169085
Remote Similarity 0.6269 NPC39266
Remote Similarity 0.6269 NPC206823
Remote Similarity 0.625 NPC179823
Remote Similarity 0.619 NPC33415
Remote Similarity 0.619 NPC301586
Remote Similarity 0.6176 NPC308489
Remote Similarity 0.6176 NPC166250
Remote Similarity 0.6176 NPC472173
Remote Similarity 0.6176 NPC472174
Remote Similarity 0.6111 NPC325822
Remote Similarity 0.6111 NPC61270
Remote Similarity 0.6102 NPC293692
Remote Similarity 0.6034 NPC326557
Remote Similarity 0.6029 NPC55652
Remote Similarity 0.6029 NPC470659
Remote Similarity 0.6029 NPC470660
Remote Similarity 0.6 NPC326661
Remote Similarity 0.6 NPC279575
Remote Similarity 0.6 NPC229655
Remote Similarity 0.6 NPC477350
Remote Similarity 0.6 NPC182903
Remote Similarity 0.5962 NPC62014
Remote Similarity 0.5952 NPC320326
Remote Similarity 0.5926 NPC247546
Remote Similarity 0.5926 NPC172086
Remote Similarity 0.5915 NPC216883
Remote Similarity 0.5915 NPC188793
Remote Similarity 0.5915 NPC476782
Remote Similarity 0.5915 NPC314772
Remote Similarity 0.5915 NPC314968
Remote Similarity 0.5915 NPC110813
Remote Similarity 0.5915 NPC476783
Remote Similarity 0.5915 NPC476781
Remote Similarity 0.5902 NPC174485
Remote Similarity 0.5862 NPC289979
Remote Similarity 0.5833 NPC477330
Remote Similarity 0.5833 NPC133377
Remote Similarity 0.5833 NPC477325
Remote Similarity 0.5833 NPC477329
Remote Similarity 0.5833 NPC281563
Remote Similarity 0.5833 NPC477328
Remote Similarity 0.5833 NPC475425
Remote Similarity 0.5833 NPC98750
Remote Similarity 0.5833 NPC477326
Remote Similarity 0.5833 NPC109887
Remote Similarity 0.5833 NPC146380
Remote Similarity 0.5833 NPC177343
Remote Similarity 0.5833 NPC477320
Remote Similarity 0.5833 NPC477323
Remote Similarity 0.5833 NPC150557

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  180.06
ALogP  -2.5134
MLogP  1.46
XLogP  -1.697
HDA  6
HBD  5
Rotatable Bonds  6
TPSA  110.38
RO5 Violation  0