Drug Information

Drug ID:  NPD2800
Drug Name:  Copper Usnate
Molecular Formula:  C18H16O7.Cu
Canonical SMILES:  CC(=O)C1=C([O-])C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)[O-].[Cu+2]
Standard InCHI:  InChI=1S/C18H16O7.Cu/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24;/h5,21-23H,1-4H3;/q;+2/p-2
Standard InCHIKey:  MNOZJMFJNZOUSH-UHFFFAOYSA-L
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2800

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 0.9925 NPC82920
High Similarity 0.9925 NPC164697
High Similarity 0.9925 NPC289660
High Similarity 0.9852 NPC111201
High Similarity 0.9851 NPC270913
High Similarity 0.9078 NPC470636
High Similarity 0.9078 NPC96791
High Similarity 0.9078 NPC226942
High Similarity 0.9065 NPC180501
High Similarity 0.9065 NPC268178
High Similarity 0.9065 NPC54820
High Similarity 0.9007 NPC316911
High Similarity 0.9007 NPC316560
High Similarity 0.8944 NPC321148
High Similarity 0.8944 NPC326193
High Similarity 0.8944 NPC323884
High Similarity 0.8944 NPC321629
High Similarity 0.8944 NPC325346
High Similarity 0.8904 NPC321896
High Similarity 0.8904 NPC476185
High Similarity 0.8881 NPC262935
High Similarity 0.8881 NPC11700
High Similarity 0.8881 NPC251182
High Similarity 0.8881 NPC172182
High Similarity 0.8873 NPC74397
High Similarity 0.8849 NPC101752
High Similarity 0.8841 NPC108113
High Similarity 0.8841 NPC93756
High Similarity 0.8836 NPC471114
High Similarity 0.8819 NPC470673
High Similarity 0.8819 NPC117716
High Similarity 0.8819 NPC470674
High Similarity 0.8819 NPC206212
High Similarity 0.8819 NPC71184
High Similarity 0.8811 NPC472344
High Similarity 0.8803 NPC477272
High Similarity 0.8794 NPC474504
High Similarity 0.8794 NPC199458
High Similarity 0.8794 NPC477056
High Similarity 0.8794 NPC474487
High Similarity 0.8794 NPC131130
High Similarity 0.8794 NPC470672
High Similarity 0.8794 NPC477055
High Similarity 0.8794 NPC183639
High Similarity 0.8794 NPC470671
High Similarity 0.8786 NPC174999
High Similarity 0.8777 NPC125920
High Similarity 0.8732 NPC19476
High Similarity 0.8732 NPC37206
High Similarity 0.8732 NPC137009
High Similarity 0.8732 NPC241975
High Similarity 0.8723 NPC138047
High Similarity 0.8723 NPC474624
High Similarity 0.8723 NPC131782
High Similarity 0.8716 NPC476162
High Similarity 0.8714 NPC60667
High Similarity 0.8707 NPC226644
High Similarity 0.8707 NPC37226
High Similarity 0.8707 NPC178202
High Similarity 0.8707 NPC317492
High Similarity 0.8699 NPC300988
High Similarity 0.8699 NPC308200
High Similarity 0.8699 NPC10990
High Similarity 0.869 NPC297788
High Similarity 0.8684 NPC313368
High Similarity 0.8681 NPC276565
High Similarity 0.8681 NPC294432
High Similarity 0.8681 NPC112829
High Similarity 0.8681 NPC473042
High Similarity 0.8681 NPC470556
High Similarity 0.8675 NPC270044
High Similarity 0.8675 NPC196448
High Similarity 0.8671 NPC11056
High Similarity 0.8662 NPC470669
High Similarity 0.8662 NPC470668
High Similarity 0.8662 NPC219584
High Similarity 0.8662 NPC201395
High Similarity 0.8662 NPC272844
High Similarity 0.8662 NPC254168
High Similarity 0.8662 NPC248995
High Similarity 0.8662 NPC470083
High Similarity 0.8658 NPC470353
High Similarity 0.8658 NPC5871
High Similarity 0.8652 NPC470983
High Similarity 0.8652 NPC470982
High Similarity 0.8652 NPC156910
High Similarity 0.8649 NPC230713
High Similarity 0.8649 NPC476509
High Similarity 0.8649 NPC78335
High Similarity 0.8639 NPC145467
High Similarity 0.8639 NPC135325
High Similarity 0.8639 NPC168085
High Similarity 0.8639 NPC39195
High Similarity 0.8633 NPC285054
High Similarity 0.8633 NPC10971
High Similarity 0.8633 NPC15834
High Similarity 0.8633 NPC215875
High Similarity 0.863 NPC82534
High Similarity 0.863 NPC210826
High Similarity 0.8623 NPC270369
High Similarity 0.8623 NPC5515
High Similarity 0.8623 NPC250057
High Similarity 0.8621 NPC184738
High Similarity 0.8621 NPC113770
High Similarity 0.8621 NPC96216
High Similarity 0.8621 NPC24821
High Similarity 0.8621 NPC18886
High Similarity 0.8621 NPC212932
High Similarity 0.8621 NPC473813
High Similarity 0.8621 NPC307895
High Similarity 0.8621 NPC9117
High Similarity 0.8621 NPC473812
High Similarity 0.8621 NPC190637
High Similarity 0.8621 NPC470909
High Similarity 0.8621 NPC33653
High Similarity 0.8621 NPC5990
High Similarity 0.8621 NPC293053
High Similarity 0.8621 NPC470553
High Similarity 0.8621 NPC474939
High Similarity 0.8621 NPC225884
High Similarity 0.8613 NPC230818
High Similarity 0.8611 NPC171870
High Similarity 0.8609 NPC474386
High Similarity 0.8609 NPC160015
High Similarity 0.8609 NPC247677
High Similarity 0.8601 NPC78913
High Similarity 0.8601 NPC139554
High Similarity 0.8601 NPC216978
High Similarity 0.8601 NPC240305
High Similarity 0.8601 NPC23257
High Similarity 0.8601 NPC96565
High Similarity 0.8601 NPC303633
High Similarity 0.8601 NPC217186
High Similarity 0.8601 NPC53181
High Similarity 0.8601 NPC55018
High Similarity 0.8601 NPC18260
High Similarity 0.8601 NPC220062
High Similarity 0.8601 NPC472343
High Similarity 0.8601 NPC301217
High Similarity 0.86 NPC1477
High Similarity 0.86 NPC235333
High Similarity 0.86 NPC213608
High Similarity 0.8592 NPC255801
High Similarity 0.8592 NPC322301
High Similarity 0.8591 NPC470675
High Similarity 0.8591 NPC170169
High Similarity 0.8591 NPC473131
High Similarity 0.8582 NPC151113
High Similarity 0.8571 NPC130581
High Similarity 0.8571 NPC17816
High Similarity 0.8571 NPC12148
High Similarity 0.8571 NPC16197
High Similarity 0.8571 NPC202494
High Similarity 0.8562 NPC288910
High Similarity 0.8562 NPC303185
High Similarity 0.8562 NPC311144
High Similarity 0.8562 NPC470890
High Similarity 0.8562 NPC470857
High Similarity 0.8562 NPC75694
High Similarity 0.8562 NPC133060
High Similarity 0.8562 NPC470554
High Similarity 0.8562 NPC326500
High Similarity 0.8562 NPC118059
High Similarity 0.8562 NPC472446
High Similarity 0.8562 NPC476055
High Similarity 0.8562 NPC234629
High Similarity 0.8562 NPC271288
High Similarity 0.8562 NPC216538
High Similarity 0.8562 NPC184649
High Similarity 0.8562 NPC273538
High Similarity 0.8562 NPC230943
High Similarity 0.8562 NPC224714
High Similarity 0.8562 NPC311741
High Similarity 0.8562 NPC472447
High Similarity 0.8561 NPC31872
High Similarity 0.8561 NPC473584
High Similarity 0.8561 NPC475589
High Similarity 0.8561 NPC27490
High Similarity 0.8553 NPC260902
High Similarity 0.8553 NPC296957
High Similarity 0.8552 NPC162476
High Similarity 0.8552 NPC200694
High Similarity 0.8552 NPC204469
High Similarity 0.8552 NPC144499
High Similarity 0.8551 NPC84772
High Similarity 0.8551 NPC186628
High Similarity 0.8543 NPC297531
High Similarity 0.8543 NPC148938
High Similarity 0.8543 NPC213936
High Similarity 0.8543 NPC471116
High Similarity 0.8543 NPC470344
High Similarity 0.8542 NPC172986
High Similarity 0.8542 NPC159275
High Similarity 0.8542 NPC221173
High Similarity 0.8542 NPC241100
High Similarity 0.8542 NPC471587
High Similarity 0.8542 NPC469818
High Similarity 0.8542 NPC261227
High Similarity 0.8542 NPC69769
High Similarity 0.8542 NPC28337

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  342.07
ALogP  -2.2136
MLogP  2.67
XLogP  0.819
HDA  4
HBD  1
Rotatable Bonds  9
TPSA  126.79
RO5 Violation  0