Drug Information

Drug ID:  NPD467
Drug Name:  Vgx-1027
Molecular Formula:  C11H11NO3
Canonical SMILES:  OC(=O)CC1ON=C(C1)c1ccccc1
Standard InCHI:  InChI=1S/C11H11NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)
Standard InCHIKey:  MUFJHYRCIHHATF-UHFFFAOYSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD467

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 0.8586 NPC323164
Intermediate Similarity 0.7826 NPC188010
Intermediate Similarity 0.7551 NPC127343
Intermediate Similarity 0.75 NPC44830
Intermediate Similarity 0.75 NPC80150
Intermediate Similarity 0.75 NPC478015
Intermediate Similarity 0.75 NPC478014
Intermediate Similarity 0.75 NPC478016
Intermediate Similarity 0.7477 NPC19136
Intermediate Similarity 0.7431 NPC12730
Intermediate Similarity 0.7429 NPC187725
Intermediate Similarity 0.7429 NPC317645
Intermediate Similarity 0.7429 NPC141607
Intermediate Similarity 0.7353 NPC95965
Intermediate Similarity 0.735 NPC309808
Intermediate Similarity 0.7333 NPC310467
Intermediate Similarity 0.7327 NPC285773
Intermediate Similarity 0.7308 NPC325441
Intermediate Similarity 0.725 NPC169328
Intermediate Similarity 0.7248 NPC477767
Intermediate Similarity 0.7232 NPC164859
Intermediate Similarity 0.7222 NPC206764
Intermediate Similarity 0.7212 NPC322387
Intermediate Similarity 0.7207 NPC94487
Intermediate Similarity 0.7182 NPC271475
Intermediate Similarity 0.717 NPC258627
Intermediate Similarity 0.7143 NPC475978
Intermediate Similarity 0.7143 NPC329064
Intermediate Similarity 0.7143 NPC474820
Intermediate Similarity 0.7105 NPC321670
Intermediate Similarity 0.7091 NPC122493
Intermediate Similarity 0.7091 NPC293628
Intermediate Similarity 0.7091 NPC10781
Intermediate Similarity 0.7091 NPC324569
Intermediate Similarity 0.7075 NPC231591
Intermediate Similarity 0.7073 NPC190663
Intermediate Similarity 0.7027 NPC175852
Intermediate Similarity 0.7027 NPC210529
Intermediate Similarity 0.7027 NPC160548
Intermediate Similarity 0.7019 NPC294134
Intermediate Similarity 0.7009 NPC70940
Intermediate Similarity 0.7009 NPC316108
Intermediate Similarity 0.7009 NPC86670
Intermediate Similarity 0.7009 NPC274455
Remote Similarity 0.699 NPC288903
Remote Similarity 0.6984 NPC473938
Remote Similarity 0.696 NPC317474
Remote Similarity 0.696 NPC169485
Remote Similarity 0.696 NPC213126
Remote Similarity 0.696 NPC291027
Remote Similarity 0.696 NPC84281
Remote Similarity 0.696 NPC160493
Remote Similarity 0.6949 NPC319579
Remote Similarity 0.6949 NPC323007
Remote Similarity 0.693 NPC471317
Remote Similarity 0.6923 NPC114741
Remote Similarity 0.6923 NPC182549
Remote Similarity 0.6917 NPC87069
Remote Similarity 0.6897 NPC474111
Remote Similarity 0.6897 NPC329705
Remote Similarity 0.6897 NPC327481
Remote Similarity 0.6891 NPC329011
Remote Similarity 0.687 NPC275538
Remote Similarity 0.6863 NPC192623
Remote Similarity 0.6852 NPC84288
Remote Similarity 0.6847 NPC3371
Remote Similarity 0.6842 NPC474112
Remote Similarity 0.6838 NPC20485
Remote Similarity 0.6833 NPC474584
Remote Similarity 0.6803 NPC210531
Remote Similarity 0.6803 NPC197470
Remote Similarity 0.68 NPC477061
Remote Similarity 0.68 NPC45777
Remote Similarity 0.6797 NPC47667
Remote Similarity 0.6789 NPC86987
Remote Similarity 0.6789 NPC110704
Remote Similarity 0.6783 NPC160382
Remote Similarity 0.6777 NPC172525
Remote Similarity 0.6774 NPC314992
Remote Similarity 0.6774 NPC237420
Remote Similarity 0.6772 NPC35996
Remote Similarity 0.6769 NPC116057
Remote Similarity 0.6759 NPC9822
Remote Similarity 0.6757 NPC58674
Remote Similarity 0.6757 NPC172925
Remote Similarity 0.6752 NPC191215
Remote Similarity 0.6752 NPC274089
Remote Similarity 0.6748 NPC2265
Remote Similarity 0.6731 NPC121478
Remote Similarity 0.6731 NPC73637
Remote Similarity 0.6731 NPC323103
Remote Similarity 0.6726 NPC329387
Remote Similarity 0.6726 NPC317280
Remote Similarity 0.6719 NPC317758
Remote Similarity 0.6699 NPC309279
Remote Similarity 0.6699 NPC121800
Remote Similarity 0.6698 NPC475710
Remote Similarity 0.6696 NPC318154
Remote Similarity 0.6694 NPC273814
Remote Similarity 0.6667 NPC477704
Remote Similarity 0.6667 NPC67043
Remote Similarity 0.6667 NPC270507
Remote Similarity 0.6667 NPC477693
Remote Similarity 0.6667 NPC4974
Remote Similarity 0.6642 NPC477680
Remote Similarity 0.6641 NPC472413
Remote Similarity 0.6637 NPC270654
Remote Similarity 0.6637 NPC289201
Remote Similarity 0.661 NPC25385
Remote Similarity 0.661 NPC475905
Remote Similarity 0.661 NPC193640
Remote Similarity 0.6609 NPC158623
Remote Similarity 0.6609 NPC225079
Remote Similarity 0.6609 NPC264728
Remote Similarity 0.6602 NPC170484
Remote Similarity 0.6591 NPC69496
Remote Similarity 0.6579 NPC322598
Remote Similarity 0.6577 NPC265521
Remote Similarity 0.6574 NPC471638
Remote Similarity 0.6571 NPC103387
Remote Similarity 0.6567 NPC328070
Remote Similarity 0.6566 NPC208302
Remote Similarity 0.6566 NPC155429
Remote Similarity 0.6557 NPC287055
Remote Similarity 0.6557 NPC206414
Remote Similarity 0.6557 NPC306977
Remote Similarity 0.6557 NPC242957
Remote Similarity 0.6552 NPC25458
Remote Similarity 0.6549 NPC261947
Remote Similarity 0.6542 NPC99482
Remote Similarity 0.6541 NPC183722
Remote Similarity 0.6538 NPC184030
Remote Similarity 0.6538 NPC164449
Remote Similarity 0.6532 NPC235421
Remote Similarity 0.6525 NPC474307
Remote Similarity 0.6522 NPC245561
Remote Similarity 0.6522 NPC217621
Remote Similarity 0.6522 NPC54647
Remote Similarity 0.6512 NPC472415
Remote Similarity 0.6508 NPC104514
Remote Similarity 0.65 NPC271437
Remote Similarity 0.65 NPC40178
Remote Similarity 0.65 NPC317305
Remote Similarity 0.6496 NPC473055
Remote Similarity 0.6496 NPC202613
Remote Similarity 0.6496 NPC329556
Remote Similarity 0.6496 NPC473052
Remote Similarity 0.6486 NPC226438
Remote Similarity 0.6471 NPC244933
Remote Similarity 0.6471 NPC142326
Remote Similarity 0.6471 NPC94751
Remote Similarity 0.6471 NPC85560
Remote Similarity 0.6466 NPC52472
Remote Similarity 0.6466 NPC128248
Remote Similarity 0.6466 NPC469481
Remote Similarity 0.6466 NPC136810
Remote Similarity 0.6466 NPC473325
Remote Similarity 0.6466 NPC133809
Remote Similarity 0.6457 NPC319950
Remote Similarity 0.6449 NPC322526
Remote Similarity 0.6449 NPC471201
Remote Similarity 0.6446 NPC326187
Remote Similarity 0.6444 NPC245836
Remote Similarity 0.6444 NPC233910
Remote Similarity 0.6441 NPC224610
Remote Similarity 0.6441 NPC113326
Remote Similarity 0.6441 NPC88267
Remote Similarity 0.6441 NPC249067
Remote Similarity 0.6441 NPC194390
Remote Similarity 0.6441 NPC329282
Remote Similarity 0.6439 NPC199738
Remote Similarity 0.6439 NPC210950
Remote Similarity 0.6436 NPC208075
Remote Similarity 0.6436 NPC108218
Remote Similarity 0.6435 NPC229242
Remote Similarity 0.6435 NPC120393
Remote Similarity 0.6423 NPC208725
Remote Similarity 0.6422 NPC198747
Remote Similarity 0.6417 NPC47536
Remote Similarity 0.6417 NPC156648
Remote Similarity 0.6412 NPC472414
Remote Similarity 0.641 NPC304873
Remote Similarity 0.6408 NPC298023
Remote Similarity 0.6406 NPC474223
Remote Similarity 0.6406 NPC475827
Remote Similarity 0.6406 NPC476183
Remote Similarity 0.6404 NPC469893
Remote Similarity 0.6404 NPC30361
Remote Similarity 0.64 NPC74458
Remote Similarity 0.64 NPC9274
Remote Similarity 0.6396 NPC172128
Remote Similarity 0.6396 NPC62765
Remote Similarity 0.6393 NPC252544
Remote Similarity 0.6393 NPC313981
Remote Similarity 0.6393 NPC321252
Remote Similarity 0.6391 NPC296712
Remote Similarity 0.6385 NPC469927
Remote Similarity 0.6385 NPC477163
Remote Similarity 0.6379 NPC7435
Remote Similarity 0.6373 NPC189371

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  205.07
ALogP  -0.4803
MLogP  2.23
XLogP  2.966
HDA  2
HBD  1
Rotatable Bonds  4
TPSA  58.89
RO5 Violation  0