Drug Information

Drug ID:  NPD9036
Drug Name:  Juvidex
Molecular Formula:  C6H13O9P
Canonical SMILES:  OC1O[C@H](COP(=O)(O)O)[C@H]([C@@H]([C@@H]1O)O)O
Standard InCHI:  InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1
Standard InCHIKey:  NBSCHQHZLSJFNQ-QTVWNMPRSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9036

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 NPC314821
High Similarity 1.0 NPC317626
High Similarity 1.0 NPC317501
High Similarity 0.8824 NPC329095
High Similarity 0.8654 NPC103672
High Similarity 0.8654 NPC320043
High Similarity 0.8627 NPC322158
High Similarity 0.8627 NPC329128
High Similarity 0.8571 NPC69445
High Similarity 0.8571 NPC21209
High Similarity 0.8571 NPC92246
High Similarity 0.8571 NPC199857
High Similarity 0.8571 NPC285364
High Similarity 0.8571 NPC165846
High Similarity 0.8571 NPC255377
High Similarity 0.8571 NPC176017
High Similarity 0.8571 NPC289758
High Similarity 0.8571 NPC73906
Intermediate Similarity 0.84 NPC321087
Intermediate Similarity 0.84 NPC277475
Intermediate Similarity 0.8235 NPC14144
Intermediate Similarity 0.8163 NPC320240
Intermediate Similarity 0.8163 NPC70756
Intermediate Similarity 0.8113 NPC326533
Intermediate Similarity 0.8077 NPC282143
Intermediate Similarity 0.8077 NPC157193
Intermediate Similarity 0.8077 NPC42503
Intermediate Similarity 0.8077 NPC299781
Intermediate Similarity 0.7959 NPC213159
Intermediate Similarity 0.7959 NPC86191
Intermediate Similarity 0.7959 NPC298699
Intermediate Similarity 0.7959 NPC291502
Intermediate Similarity 0.7959 NPC317182
Intermediate Similarity 0.7959 NPC134252
Intermediate Similarity 0.7925 NPC323574
Intermediate Similarity 0.7818 NPC67660
Intermediate Similarity 0.7818 NPC242073
Intermediate Similarity 0.7818 NPC323361
Intermediate Similarity 0.7818 NPC89145
Intermediate Similarity 0.7818 NPC107914
Intermediate Similarity 0.7818 NPC269166
Intermediate Similarity 0.7818 NPC157514
Intermediate Similarity 0.7818 NPC130683
Intermediate Similarity 0.7818 NPC58629
Intermediate Similarity 0.7818 NPC165198
Intermediate Similarity 0.7818 NPC246558
Intermediate Similarity 0.7818 NPC145112
Intermediate Similarity 0.7778 NPC23134
Intermediate Similarity 0.7778 NPC124963
Intermediate Similarity 0.7778 NPC233726
Intermediate Similarity 0.7679 NPC303727
Intermediate Similarity 0.7551 NPC266553
Intermediate Similarity 0.7451 NPC29721
Intermediate Similarity 0.7407 NPC325822
Intermediate Similarity 0.7407 NPC61270
Intermediate Similarity 0.7288 NPC219040
Intermediate Similarity 0.7288 NPC472025
Intermediate Similarity 0.7255 NPC320189
Intermediate Similarity 0.7167 NPC317023
Intermediate Similarity 0.7167 NPC290179
Intermediate Similarity 0.7167 NPC34877
Intermediate Similarity 0.7119 NPC148424
Intermediate Similarity 0.7049 NPC174485
Intermediate Similarity 0.7037 NPC252918
Intermediate Similarity 0.7037 NPC230789
Intermediate Similarity 0.7037 NPC314613
Intermediate Similarity 0.7018 NPC278465
Intermediate Similarity 0.7018 NPC321102
Intermediate Similarity 0.7018 NPC325153
Intermediate Similarity 0.7018 NPC322803
Remote Similarity 0.6935 NPC477757
Remote Similarity 0.6935 NPC477750
Remote Similarity 0.6935 NPC472026
Remote Similarity 0.6935 NPC477755
Remote Similarity 0.6935 NPC477762
Remote Similarity 0.6935 NPC477763
Remote Similarity 0.6935 NPC477753
Remote Similarity 0.6885 NPC322855
Remote Similarity 0.6885 NPC320032
Remote Similarity 0.6786 NPC82512
Remote Similarity 0.6774 NPC143326
Remote Similarity 0.6719 NPC268243
Remote Similarity 0.6667 NPC155457
Remote Similarity 0.6615 NPC6848
Remote Similarity 0.6531 NPC192065
Remote Similarity 0.6531 NPC293908
Remote Similarity 0.6531 NPC66052
Remote Similarity 0.6531 NPC325034
Remote Similarity 0.6531 NPC86412
Remote Similarity 0.6515 NPC190418
Remote Similarity 0.6515 NPC76881
Remote Similarity 0.6515 NPC12040
Remote Similarity 0.6515 NPC471761
Remote Similarity 0.6515 NPC471760
Remote Similarity 0.6515 NPC147292
Remote Similarity 0.6462 NPC277570
Remote Similarity 0.6462 NPC258690
Remote Similarity 0.6462 NPC317651
Remote Similarity 0.6462 NPC325773
Remote Similarity 0.6429 NPC88638
Remote Similarity 0.6418 NPC477752
Remote Similarity 0.6418 NPC477756
Remote Similarity 0.6418 NPC477764
Remote Similarity 0.6418 NPC477751
Remote Similarity 0.6364 NPC31496
Remote Similarity 0.6364 NPC207656
Remote Similarity 0.6364 NPC294813
Remote Similarity 0.6364 NPC107091
Remote Similarity 0.6364 NPC13143
Remote Similarity 0.6324 NPC477760
Remote Similarity 0.6324 NPC477759
Remote Similarity 0.6324 NPC477758
Remote Similarity 0.6324 NPC206601
Remote Similarity 0.6324 NPC477761
Remote Similarity 0.6324 NPC32148
Remote Similarity 0.6324 NPC477754
Remote Similarity 0.6316 NPC318700
Remote Similarity 0.6316 NPC188428
Remote Similarity 0.629 NPC3547
Remote Similarity 0.6286 NPC321873
Remote Similarity 0.625 NPC323945
Remote Similarity 0.6232 NPC97736
Remote Similarity 0.6232 NPC67099
Remote Similarity 0.6232 NPC250619
Remote Similarity 0.6232 NPC50228
Remote Similarity 0.6226 NPC102981
Remote Similarity 0.6226 NPC99573
Remote Similarity 0.6226 NPC88278
Remote Similarity 0.6226 NPC111882
Remote Similarity 0.6226 NPC227707
Remote Similarity 0.6176 NPC129100
Remote Similarity 0.6176 NPC322801
Remote Similarity 0.6176 NPC291650
Remote Similarity 0.6154 NPC320296
Remote Similarity 0.6143 NPC211428
Remote Similarity 0.6143 NPC241265
Remote Similarity 0.6143 NPC285003
Remote Similarity 0.6056 NPC52268
Remote Similarity 0.6056 NPC474078
Remote Similarity 0.6056 NPC53760
Remote Similarity 0.6056 NPC471879
Remote Similarity 0.6034 NPC112363
Remote Similarity 0.5972 NPC185419
Remote Similarity 0.5972 NPC184550
Remote Similarity 0.5938 NPC220922
Remote Similarity 0.5918 NPC321170
Remote Similarity 0.5918 NPC182541
Remote Similarity 0.5918 NPC127074
Remote Similarity 0.5918 NPC149070
Remote Similarity 0.5918 NPC266566
Remote Similarity 0.5918 NPC187058
Remote Similarity 0.5918 NPC197207
Remote Similarity 0.5918 NPC31433
Remote Similarity 0.5915 NPC223174
Remote Similarity 0.5915 NPC327753
Remote Similarity 0.5915 NPC327486
Remote Similarity 0.589 NPC291228
Remote Similarity 0.589 NPC9763
Remote Similarity 0.589 NPC225748
Remote Similarity 0.589 NPC132938
Remote Similarity 0.589 NPC206823
Remote Similarity 0.589 NPC39266
Remote Similarity 0.589 NPC169085
Remote Similarity 0.589 NPC308096
Remote Similarity 0.589 NPC163812
Remote Similarity 0.5811 NPC166250
Remote Similarity 0.5714 NPC317263
Remote Similarity 0.5686 NPC227267
Remote Similarity 0.5676 NPC55652
Remote Similarity 0.5676 NPC248427
Remote Similarity 0.5667 NPC328954
Remote Similarity 0.5658 NPC477350
Remote Similarity 0.5658 NPC279575
Remote Similarity 0.5634 NPC179823
Remote Similarity 0.5625 NPC326557
Remote Similarity 0.56 NPC308489
Remote Similarity 0.56 NPC472174
Remote Similarity 0.56 NPC472173

Drug Structure

External Identifiers

TTD   DIB014990
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  260.03
ALogP  -2.4492
MLogP  1.02
XLogP  -3.355
HDA  9
HBD  6
Rotatable Bonds  9
TPSA  166.72
RO5 Violation  1