Drug Information

Drug ID:  NPD905
Drug Name:  
Molecular Formula:  C12H24O11
Canonical SMILES:  OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O
Standard InCHI:  InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1
Standard InCHIKey:  VQHSOMBJVWLPSR-JVCRWLNRSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD905

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 NPC326533
High Similarity 0.9592 NPC67660
High Similarity 0.9592 NPC130683
High Similarity 0.9592 NPC145112
High Similarity 0.9592 NPC269166
High Similarity 0.9592 NPC246558
High Similarity 0.9592 NPC242073
High Similarity 0.9592 NPC107914
High Similarity 0.9592 NPC58629
High Similarity 0.9592 NPC165198
High Similarity 0.9592 NPC157514
High Similarity 0.9592 NPC89145
High Similarity 0.9592 NPC323361
High Similarity 0.9583 NPC124963
High Similarity 0.9583 NPC23134
High Similarity 0.9583 NPC233726
High Similarity 0.94 NPC303727
High Similarity 0.9167 NPC157193
High Similarity 0.9167 NPC282143
High Similarity 0.9167 NPC299781
High Similarity 0.9167 NPC42503
High Similarity 0.898 NPC323574
High Similarity 0.8958 NPC14144
High Similarity 0.8936 NPC165846
High Similarity 0.8936 NPC255377
High Similarity 0.8936 NPC69445
High Similarity 0.8936 NPC199857
High Similarity 0.8936 NPC21209
High Similarity 0.8936 NPC73906
High Similarity 0.8936 NPC92246
High Similarity 0.8936 NPC285364
High Similarity 0.8936 NPC176017
High Similarity 0.8936 NPC289758
High Similarity 0.8868 NPC219040
High Similarity 0.8868 NPC472025
High Similarity 0.875 NPC277475
High Similarity 0.875 NPC321087
High Similarity 0.8704 NPC290179
High Similarity 0.8704 NPC317023
High Similarity 0.8704 NPC34877
High Similarity 0.8679 NPC148424
High Similarity 0.8511 NPC70756
High Similarity 0.8511 NPC320240
Intermediate Similarity 0.84 NPC82512
Intermediate Similarity 0.8393 NPC477757
Intermediate Similarity 0.8393 NPC477762
Intermediate Similarity 0.8393 NPC472026
Intermediate Similarity 0.8393 NPC477763
Intermediate Similarity 0.8393 NPC477750
Intermediate Similarity 0.8393 NPC477755
Intermediate Similarity 0.8393 NPC477753
Intermediate Similarity 0.8364 NPC320032
Intermediate Similarity 0.8364 NPC322855
Intermediate Similarity 0.8298 NPC298699
Intermediate Similarity 0.8298 NPC291502
Intermediate Similarity 0.8298 NPC213159
Intermediate Similarity 0.8298 NPC86191
Intermediate Similarity 0.8298 NPC134252
Intermediate Similarity 0.8298 NPC317182
Intermediate Similarity 0.8214 NPC143326
Intermediate Similarity 0.8113 NPC314821
Intermediate Similarity 0.8113 NPC317501
Intermediate Similarity 0.8113 NPC317626
Intermediate Similarity 0.8103 NPC268243
Intermediate Similarity 0.807 NPC155457
Intermediate Similarity 0.8 NPC252918
Intermediate Similarity 0.8 NPC230789
Intermediate Similarity 0.7966 NPC6848
Intermediate Similarity 0.7872 NPC266553
Intermediate Similarity 0.7833 NPC190418
Intermediate Similarity 0.7833 NPC471761
Intermediate Similarity 0.7833 NPC76881
Intermediate Similarity 0.7833 NPC471760
Intermediate Similarity 0.7833 NPC12040
Intermediate Similarity 0.7833 NPC147292
Intermediate Similarity 0.7797 NPC277570
Intermediate Similarity 0.7797 NPC325773
Intermediate Similarity 0.7755 NPC29721
Intermediate Similarity 0.7705 NPC477764
Intermediate Similarity 0.7705 NPC477756
Intermediate Similarity 0.7705 NPC477751
Intermediate Similarity 0.7705 NPC477752
Intermediate Similarity 0.7667 NPC31496
Intermediate Similarity 0.7667 NPC294813
Intermediate Similarity 0.7667 NPC13143
Intermediate Similarity 0.7581 NPC477760
Intermediate Similarity 0.7581 NPC477759
Intermediate Similarity 0.7581 NPC477754
Intermediate Similarity 0.7581 NPC477758
Intermediate Similarity 0.7581 NPC206601
Intermediate Similarity 0.7581 NPC32148
Intermediate Similarity 0.7581 NPC477761
Intermediate Similarity 0.7551 NPC320189
Intermediate Similarity 0.746 NPC50228
Intermediate Similarity 0.746 NPC97736
Intermediate Similarity 0.746 NPC250619
Intermediate Similarity 0.746 NPC67099
Intermediate Similarity 0.7344 NPC241265
Intermediate Similarity 0.7344 NPC211428
Intermediate Similarity 0.7344 NPC285003
Intermediate Similarity 0.7231 NPC53760
Intermediate Similarity 0.7231 NPC52268
Intermediate Similarity 0.7231 NPC474078
Intermediate Similarity 0.7231 NPC471879
Intermediate Similarity 0.7121 NPC185419
Intermediate Similarity 0.7121 NPC184550
Intermediate Similarity 0.7091 NPC329095
Intermediate Similarity 0.7015 NPC291228
Intermediate Similarity 0.7015 NPC163812
Intermediate Similarity 0.7015 NPC132938
Intermediate Similarity 0.7015 NPC169085
Intermediate Similarity 0.7015 NPC206823
Intermediate Similarity 0.7015 NPC225748
Intermediate Similarity 0.7015 NPC308096
Intermediate Similarity 0.7015 NPC9763
Intermediate Similarity 0.7015 NPC39266
Remote Similarity 0.6981 NPC88638
Remote Similarity 0.6964 NPC103672
Remote Similarity 0.6964 NPC320043
Remote Similarity 0.6923 NPC207656
Remote Similarity 0.6923 NPC107091
Remote Similarity 0.6912 NPC166250
Remote Similarity 0.6909 NPC322158
Remote Similarity 0.6909 NPC329128
Remote Similarity 0.6897 NPC326557
Remote Similarity 0.6809 NPC293908
Remote Similarity 0.6809 NPC86412
Remote Similarity 0.6809 NPC325034
Remote Similarity 0.6809 NPC66052
Remote Similarity 0.6809 NPC192065
Remote Similarity 0.6765 NPC55652
Remote Similarity 0.6714 NPC477350
Remote Similarity 0.6714 NPC279575
Remote Similarity 0.6667 NPC258690
Remote Similarity 0.6667 NPC308489
Remote Similarity 0.6667 NPC472174
Remote Similarity 0.6667 NPC472173
Remote Similarity 0.6667 NPC317651
Remote Similarity 0.662 NPC476783
Remote Similarity 0.662 NPC110813
Remote Similarity 0.662 NPC476782
Remote Similarity 0.662 NPC216883
Remote Similarity 0.662 NPC476781
Remote Similarity 0.6528 NPC477325
Remote Similarity 0.6528 NPC475425
Remote Similarity 0.6528 NPC113745
Remote Similarity 0.6528 NPC477330
Remote Similarity 0.6528 NPC272841
Remote Similarity 0.6528 NPC477328
Remote Similarity 0.6528 NPC133377
Remote Similarity 0.6528 NPC477329
Remote Similarity 0.6528 NPC109887
Remote Similarity 0.6528 NPC477326
Remote Similarity 0.6528 NPC477320
Remote Similarity 0.6528 NPC477323
Remote Similarity 0.6528 NPC316807
Remote Similarity 0.6528 NPC98750
Remote Similarity 0.6528 NPC281563
Remote Similarity 0.6528 NPC146380
Remote Similarity 0.6528 NPC150557
Remote Similarity 0.6522 NPC470659
Remote Similarity 0.6522 NPC470660
Remote Similarity 0.6522 NPC248427
Remote Similarity 0.6515 NPC179823
Remote Similarity 0.6479 NPC229655
Remote Similarity 0.6479 NPC326661
Remote Similarity 0.6471 NPC111882
Remote Similarity 0.6471 NPC88278
Remote Similarity 0.6471 NPC227707
Remote Similarity 0.6471 NPC99573
Remote Similarity 0.6471 NPC102981
Remote Similarity 0.6438 NPC85759
Remote Similarity 0.6438 NPC158302
Remote Similarity 0.6438 NPC477346
Remote Similarity 0.6438 NPC146992
Remote Similarity 0.6438 NPC477344
Remote Similarity 0.6438 NPC179933
Remote Similarity 0.6438 NPC22742
Remote Similarity 0.6438 NPC70574
Remote Similarity 0.6438 NPC294748
Remote Similarity 0.6438 NPC100204
Remote Similarity 0.6438 NPC318258
Remote Similarity 0.6438 NPC83248
Remote Similarity 0.6438 NPC170595
Remote Similarity 0.6429 NPC138273
Remote Similarity 0.6389 NPC188793
Remote Similarity 0.6364 NPC129100
Remote Similarity 0.6364 NPC291650
Remote Similarity 0.6364 NPC322801
Remote Similarity 0.6351 NPC471420
Remote Similarity 0.6351 NPC267592
Remote Similarity 0.6351 NPC163362
Remote Similarity 0.6351 NPC127295
Remote Similarity 0.6324 NPC327753
Remote Similarity 0.6324 NPC223174
Remote Similarity 0.6324 NPC327486
Remote Similarity 0.6301 NPC177343
Remote Similarity 0.6267 NPC472201
Remote Similarity 0.6267 NPC123204
Remote Similarity 0.6267 NPC259294

Drug Structure

External Identifiers

TTD   DIB007507
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  344.13
ALogP  -4.6871
MLogP  1.57
XLogP  -5.004
HDA  11
HBD  9
Rotatable Bonds  17
TPSA  200.53
RO5 Violation  2