Drug Information

Drug ID:  NPD7879
Drug Name:  
Molecular Formula:  C34H37FO15
Canonical SMILES:  COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@@H]4O[C@@H](C)[C@H]([C@H]([C@H]4F)O)O)C[C@](Cc3c(c1C2=O)O)(O)C(=O)COC(=O)CCCCCC(=O)O
Standard InCHI:  InChI=1S/C34H37FO15/c1-14-27(40)32(45)26(35)33(49-14)50-18-12-34(46,19(36)13-48-21(39)10-5-3-4-9-20(37)38)11-16-23(18)31(44)25-24(29(16)42)28(41)15-7-6-8-17(47-2)22(15)30(25)43/h6-8,14,18,26-27,32-33,40,42,44-46H,3-5,9-13H2,1-2H3,(H,37,38)/t14-,18-,26+,27+,32-,33-,34-/m0/s1
Standard InCHIKey:  PQMIPLRIRFVQJZ-QBYYVRQOSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7879

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 0.9322 NPC314672
High Similarity 0.9186 NPC183441
High Similarity 0.9148 NPC313452
High Similarity 0.9128 NPC478021
High Similarity 0.9118 NPC478020
High Similarity 0.9118 NPC478022
High Similarity 0.9091 NPC475161
High Similarity 0.9091 NPC315221
High Similarity 0.9091 NPC477860
High Similarity 0.908 NPC470667
High Similarity 0.908 NPC186800
High Similarity 0.9075 NPC294501
High Similarity 0.9071 NPC131405
High Similarity 0.9034 NPC58538
High Similarity 0.9029 NPC102053
High Similarity 0.9029 NPC176246
High Similarity 0.8971 NPC470583
High Similarity 0.8971 NPC19056
High Similarity 0.8971 NPC68381
High Similarity 0.8944 NPC205721
High Similarity 0.8939 NPC87583
High Similarity 0.8927 NPC114257
High Similarity 0.8927 NPC277710
High Similarity 0.8927 NPC299149
High Similarity 0.8927 NPC72783
High Similarity 0.8927 NPC153578
High Similarity 0.892 NPC289876
High Similarity 0.892 NPC475246
High Similarity 0.892 NPC46958
High Similarity 0.8914 NPC65118
High Similarity 0.8914 NPC472054
High Similarity 0.8914 NPC203751
High Similarity 0.8914 NPC85368
High Similarity 0.8914 NPC470438
High Similarity 0.8908 NPC470580
High Similarity 0.8895 NPC178281
High Similarity 0.8889 NPC105591
High Similarity 0.8883 NPC224557
High Similarity 0.8883 NPC292706
High Similarity 0.8882 NPC284495
High Similarity 0.8876 NPC208069
High Similarity 0.887 NPC115447
High Similarity 0.887 NPC470582
High Similarity 0.887 NPC470581
High Similarity 0.887 NPC266513
High Similarity 0.8864 NPC70862
High Similarity 0.8864 NPC3718
High Similarity 0.8859 NPC109403
High Similarity 0.8859 NPC261012
High Similarity 0.8859 NPC314738
High Similarity 0.8857 NPC5029
High Similarity 0.8857 NPC111536
High Similarity 0.8857 NPC270027
High Similarity 0.8857 NPC271385
High Similarity 0.8857 NPC30432
High Similarity 0.8857 NPC76128
High Similarity 0.8851 NPC175477
High Similarity 0.8846 NPC48474
High Similarity 0.8833 NPC241847
High Similarity 0.8827 NPC473717
High Similarity 0.8827 NPC293227
High Similarity 0.8827 NPC475662
High Similarity 0.8827 NPC473631
High Similarity 0.882 NPC245059
High Similarity 0.882 NPC187441
High Similarity 0.882 NPC283980
High Similarity 0.882 NPC84494
High Similarity 0.8814 NPC475233
High Similarity 0.8804 NPC470194
High Similarity 0.8804 NPC314687
High Similarity 0.8804 NPC470200
High Similarity 0.8804 NPC470197
High Similarity 0.8804 NPC316274
High Similarity 0.8804 NPC470198
High Similarity 0.8804 NPC470193
High Similarity 0.8804 NPC470196
High Similarity 0.8804 NPC282474
High Similarity 0.8804 NPC470195
High Similarity 0.88 NPC298778
High Similarity 0.8786 NPC329647
High Similarity 0.8786 NPC470735
High Similarity 0.8779 NPC187934
High Similarity 0.8779 NPC278329
High Similarity 0.8779 NPC212099
High Similarity 0.8779 NPC97637
High Similarity 0.8779 NPC146837
High Similarity 0.8779 NPC101116
High Similarity 0.8771 NPC164047
High Similarity 0.8771 NPC470448
High Similarity 0.8771 NPC197357
High Similarity 0.8771 NPC470452
High Similarity 0.8771 NPC85316
High Similarity 0.8771 NPC470453
High Similarity 0.8765 NPC208651
High Similarity 0.8765 NPC206641
High Similarity 0.8764 NPC83331
High Similarity 0.8757 NPC470454
High Similarity 0.8757 NPC199533
High Similarity 0.875 NPC315351
High Similarity 0.875 NPC315619
High Similarity 0.875 NPC316412
High Similarity 0.875 NPC473113
High Similarity 0.8743 NPC222455
High Similarity 0.8743 NPC246274
High Similarity 0.8729 NPC221140
High Similarity 0.8729 NPC473686
High Similarity 0.8729 NPC475220
High Similarity 0.8729 NPC229817
High Similarity 0.8729 NPC475352
High Similarity 0.8708 NPC66820
High Similarity 0.8708 NPC92403
High Similarity 0.8708 NPC170018
High Similarity 0.8708 NPC76112
High Similarity 0.8701 NPC199357
High Similarity 0.8701 NPC98776
High Similarity 0.8696 NPC314459
High Similarity 0.8696 NPC470199
High Similarity 0.8693 NPC280385
High Similarity 0.8686 NPC63470
High Similarity 0.8678 NPC280923
High Similarity 0.8678 NPC478026
High Similarity 0.8659 NPC477683
High Similarity 0.8659 NPC477682
High Similarity 0.8652 NPC63105
High Similarity 0.8652 NPC474345
High Similarity 0.8647 NPC3449
High Similarity 0.8644 NPC477836
High Similarity 0.8641 NPC264302
High Similarity 0.8636 NPC473095
High Similarity 0.8636 NPC137460
High Similarity 0.8636 NPC473096
High Similarity 0.8632 NPC315889
High Similarity 0.8621 NPC17432
High Similarity 0.8619 NPC478001
High Similarity 0.8619 NPC475656
High Similarity 0.8619 NPC475148
High Similarity 0.8611 NPC212290
High Similarity 0.8605 NPC53139
High Similarity 0.8603 NPC198893
High Similarity 0.8603 NPC232818
High Similarity 0.8603 NPC314489
High Similarity 0.8602 NPC42286
High Similarity 0.8596 NPC283480
High Similarity 0.8596 NPC213052
High Similarity 0.8596 NPC148323
High Similarity 0.8596 NPC470335
High Similarity 0.8596 NPC470336
High Similarity 0.8588 NPC469344
High Similarity 0.8588 NPC76047
High Similarity 0.858 NPC473094
High Similarity 0.858 NPC103633
High Similarity 0.8571 NPC314941
High Similarity 0.8571 NPC75574
High Similarity 0.8571 NPC99216
High Similarity 0.8571 NPC106700
High Similarity 0.8571 NPC470416
High Similarity 0.8563 NPC216752
High Similarity 0.8556 NPC470334
High Similarity 0.8548 NPC314020
High Similarity 0.8547 NPC146803
High Similarity 0.8547 NPC223735
High Similarity 0.8547 NPC307754
High Similarity 0.8539 NPC101399
High Similarity 0.8539 NPC288152
High Similarity 0.8539 NPC9002
High Similarity 0.8539 NPC11847
High Similarity 0.8539 NPC257011
High Similarity 0.8539 NPC221288
High Similarity 0.8539 NPC137871
High Similarity 0.8539 NPC217822
High Similarity 0.8538 NPC192219
High Similarity 0.8538 NPC174599
High Similarity 0.8538 NPC82190
High Similarity 0.8531 NPC5319
High Similarity 0.8531 NPC259905
High Similarity 0.8525 NPC197972
High Similarity 0.8523 NPC178851
High Similarity 0.8516 NPC36138
High Similarity 0.8514 NPC475183
High Similarity 0.85 NPC469345
High Similarity 0.85 NPC472380
High Similarity 0.85 NPC472382
High Similarity 0.85 NPC472384
Intermediate Similarity 0.8497 NPC57072
Intermediate Similarity 0.8497 NPC231475
Intermediate Similarity 0.8492 NPC131862
Intermediate Similarity 0.8492 NPC154986
Intermediate Similarity 0.8492 NPC229051
Intermediate Similarity 0.8483 NPC313304
Intermediate Similarity 0.8483 NPC188815
Intermediate Similarity 0.8483 NPC280642
Intermediate Similarity 0.8483 NPC241874
Intermediate Similarity 0.8483 NPC199079
Intermediate Similarity 0.8483 NPC210808
Intermediate Similarity 0.8483 NPC218161
Intermediate Similarity 0.8483 NPC96605
Intermediate Similarity 0.848 NPC474621
Intermediate Similarity 0.848 NPC182921
Intermediate Similarity 0.848 NPC474622
Intermediate Similarity 0.848 NPC218870

Drug Structure

External Identifiers

TTD   DIB006593
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   115362
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  704.21
ALogP  -4.0769
MLogP  3.44
XLogP  -0.502
HDA  12
HBD  6
Rotatable Bonds  22
TPSA  243.65
RO5 Violation  3