Drug Information

Drug ID:  NPD2393
Drug Name:  
Molecular Formula:  C17H16O6
Canonical SMILES:  Oc1ccc(cc1O)C1CC(=O)c2c(O1)c(C)c(c(c2O)C)O
Standard InCHI:  InChI=1S/C17H16O6/c1-7-15(21)8(2)17-14(16(7)22)12(20)6-13(23-17)9-3-4-10(18)11(19)5-9/h3-5,13,18-19,21-22H,6H2,1-2H3
Standard InCHIKey:  AESMRHCYHARBLU-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2393

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 NPC192083
High Similarity 1.0 NPC213896
High Similarity 0.9932 NPC106976
High Similarity 0.9932 NPC321779
High Similarity 0.9865 NPC278778
High Similarity 0.9865 NPC195796
High Similarity 0.9865 NPC291878
High Similarity 0.9865 NPC35038
High Similarity 0.9864 NPC74924
High Similarity 0.9864 NPC298692
High Similarity 0.9799 NPC472598
High Similarity 0.9799 NPC27337
High Similarity 0.9799 NPC291508
High Similarity 0.9799 NPC471209
High Similarity 0.9799 NPC474055
High Similarity 0.9797 NPC477503
High Similarity 0.9797 NPC45849
High Similarity 0.9797 NPC200761
High Similarity 0.9797 NPC470327
High Similarity 0.9733 NPC22192
High Similarity 0.9733 NPC210459
High Similarity 0.9732 NPC470328
High Similarity 0.9732 NPC209614
High Similarity 0.9732 NPC472626
High Similarity 0.973 NPC18727
High Similarity 0.9669 NPC192686
High Similarity 0.9669 NPC472624
High Similarity 0.9669 NPC287328
High Similarity 0.9669 NPC118256
High Similarity 0.9669 NPC282009
High Similarity 0.9669 NPC321399
High Similarity 0.9669 NPC36217
High Similarity 0.9669 NPC119209
High Similarity 0.9667 NPC223787
High Similarity 0.9664 NPC226025
High Similarity 0.9664 NPC67396
High Similarity 0.9662 NPC219582
High Similarity 0.9662 NPC302950
High Similarity 0.9662 NPC236637
High Similarity 0.966 NPC3825
High Similarity 0.966 NPC88804
High Similarity 0.9658 NPC294852
High Similarity 0.9658 NPC321011
High Similarity 0.9658 NPC188679
High Similarity 0.9605 NPC26326
High Similarity 0.9605 NPC472632
High Similarity 0.9605 NPC142252
High Similarity 0.9605 NPC471210
High Similarity 0.9605 NPC471499
High Similarity 0.9605 NPC472634
High Similarity 0.9605 NPC474038
High Similarity 0.9603 NPC95936
High Similarity 0.9603 NPC250214
High Similarity 0.9603 NPC117418
High Similarity 0.9603 NPC53545
High Similarity 0.9603 NPC85121
High Similarity 0.96 NPC24640
High Similarity 0.96 NPC471500
High Similarity 0.9592 NPC1612
High Similarity 0.9592 NPC183959
High Similarity 0.9542 NPC474033
High Similarity 0.9542 NPC472635
High Similarity 0.9542 NPC474034
High Similarity 0.9542 NPC201800
High Similarity 0.9542 NPC476247
High Similarity 0.9539 NPC472630
High Similarity 0.9539 NPC476283
High Similarity 0.9539 NPC470326
High Similarity 0.9539 NPC174953
High Similarity 0.9539 NPC472631
High Similarity 0.9539 NPC328102
High Similarity 0.9539 NPC475784
High Similarity 0.9536 NPC471479
High Similarity 0.9536 NPC473272
High Similarity 0.9536 NPC78225
High Similarity 0.9536 NPC471515
High Similarity 0.9536 NPC162869
High Similarity 0.9536 NPC48208
High Similarity 0.9536 NPC474836
High Similarity 0.9536 NPC475267
High Similarity 0.9536 NPC474208
High Similarity 0.9536 NPC156057
High Similarity 0.9536 NPC284820
High Similarity 0.9533 NPC168247
High Similarity 0.9533 NPC133392
High Similarity 0.9533 NPC117992
High Similarity 0.9533 NPC113906
High Similarity 0.9533 NPC57674
High Similarity 0.9533 NPC152951
High Similarity 0.9533 NPC230149
High Similarity 0.953 NPC63187
High Similarity 0.953 NPC323626
High Similarity 0.953 NPC324233
High Similarity 0.953 NPC37684
High Similarity 0.953 NPC157784
High Similarity 0.953 NPC472912
High Similarity 0.953 NPC471982
High Similarity 0.9527 NPC338131
High Similarity 0.9524 NPC3036
High Similarity 0.9521 NPC187282
High Similarity 0.9521 NPC24136
High Similarity 0.9521 NPC290133
High Similarity 0.9481 NPC124038
High Similarity 0.9481 NPC472625
High Similarity 0.9481 NPC186686
High Similarity 0.9477 NPC471212
High Similarity 0.9477 NPC266314
High Similarity 0.9477 NPC134783
High Similarity 0.9477 NPC471211
High Similarity 0.9477 NPC289771
High Similarity 0.9474 NPC473990
High Similarity 0.9474 NPC469658
High Similarity 0.947 NPC320825
High Similarity 0.947 NPC170026
High Similarity 0.947 NPC326037
High Similarity 0.947 NPC13858
High Similarity 0.947 NPC235165
High Similarity 0.947 NPC68093
High Similarity 0.947 NPC255106
High Similarity 0.947 NPC282307
High Similarity 0.947 NPC191146
High Similarity 0.9467 NPC49402
High Similarity 0.9467 NPC170492
High Similarity 0.9467 NPC33051
High Similarity 0.9467 NPC227337
High Similarity 0.9467 NPC70433
High Similarity 0.9467 NPC273462
High Similarity 0.9463 NPC304295
High Similarity 0.9463 NPC154345
High Similarity 0.9463 NPC204515
High Similarity 0.9463 NPC59162
High Similarity 0.9463 NPC205046
High Similarity 0.9459 NPC38545
High Similarity 0.9459 NPC171916
High Similarity 0.9459 NPC105512
High Similarity 0.9456 NPC108406
High Similarity 0.9456 NPC95864
High Similarity 0.9419 NPC472277
High Similarity 0.9419 NPC108433
High Similarity 0.9419 NPC293319
High Similarity 0.9419 NPC62261
High Similarity 0.9419 NPC300053
High Similarity 0.9416 NPC194427
High Similarity 0.9416 NPC474162
High Similarity 0.9416 NPC474150
High Similarity 0.9416 NPC211107
High Similarity 0.9412 NPC299436
High Similarity 0.9412 NPC470183
High Similarity 0.9408 NPC299520
High Similarity 0.9408 NPC52889
High Similarity 0.9408 NPC472911
High Similarity 0.9408 NPC245758
High Similarity 0.9408 NPC36852
High Similarity 0.9408 NPC210084
High Similarity 0.9408 NPC52530
High Similarity 0.9408 NPC472910
High Similarity 0.9408 NPC67876
High Similarity 0.9408 NPC129684
High Similarity 0.9408 NPC222814
High Similarity 0.9408 NPC262286
High Similarity 0.9408 NPC472913
High Similarity 0.9408 NPC472914
High Similarity 0.9408 NPC99597
High Similarity 0.9408 NPC96167
High Similarity 0.9404 NPC37392
High Similarity 0.9404 NPC256925
High Similarity 0.9404 NPC234255
High Similarity 0.94 NPC36835
High Similarity 0.94 NPC260491
High Similarity 0.94 NPC477231
High Similarity 0.94 NPC260979
High Similarity 0.94 NPC61506
High Similarity 0.94 NPC257648
High Similarity 0.94 NPC240476
High Similarity 0.94 NPC246162
High Similarity 0.94 NPC249570
High Similarity 0.94 NPC9743
High Similarity 0.9396 NPC472633
High Similarity 0.9396 NPC62042
High Similarity 0.9392 NPC203077
High Similarity 0.9392 NPC238279
High Similarity 0.9392 NPC476342
High Similarity 0.9392 NPC166036
High Similarity 0.9392 NPC119059
High Similarity 0.9388 NPC472629
High Similarity 0.9359 NPC471213
High Similarity 0.9359 NPC43319
High Similarity 0.9355 NPC472281
High Similarity 0.9355 NPC472278
High Similarity 0.9355 NPC205265
High Similarity 0.9355 NPC329669
High Similarity 0.9355 NPC18100
High Similarity 0.9355 NPC473313
High Similarity 0.9355 NPC476295
High Similarity 0.9351 NPC198829
High Similarity 0.9351 NPC187354
High Similarity 0.9351 NPC32694
High Similarity 0.9351 NPC112418
High Similarity 0.9351 NPC158188
High Similarity 0.9351 NPC472275

Drug Structure

External Identifiers

TTD   DIB006966
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  316.09
ALogP  -0.9907
MLogP  2.67
XLogP  0.587
HDA  1
HBD  4
Rotatable Bonds  7
TPSA  107.22
RO5 Violation  0