Drug Information

Drug ID:  NPD2359
Drug Name:  Balsalazide Disodium
Molecular Formula:  C17H15N3O6.2Na
Canonical SMILES:  [O-]C(=O)CCNC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)[O-].[Na+].[Na+]
Standard InCHI:  InChI=1S/C17H15N3O6.2Na/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23;;/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26);;/q;2*+1/p-2/b20-19+;;
Standard InCHIKey:  CKMOQBVBEGCJGW-LLIZZRELSA-L
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2359

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 0.8614 NPC471778
Intermediate Similarity 0.8424 NPC199737
Intermediate Similarity 0.8129 NPC112336
Intermediate Similarity 0.8129 NPC474814
Intermediate Similarity 0.8089 NPC316574
Intermediate Similarity 0.7901 NPC323798
Intermediate Similarity 0.7778 NPC475983
Intermediate Similarity 0.7778 NPC301702
Intermediate Similarity 0.7654 NPC181526
Intermediate Similarity 0.7333 NPC242933
Intermediate Similarity 0.7213 NPC474815
Intermediate Similarity 0.7186 NPC43477
Intermediate Similarity 0.7135 NPC189116
Intermediate Similarity 0.7134 NPC253476
Intermediate Similarity 0.7125 NPC322433
Intermediate Similarity 0.7097 NPC470317
Intermediate Similarity 0.7066 NPC238412
Intermediate Similarity 0.7056 NPC182131
Intermediate Similarity 0.7051 NPC229353
Intermediate Similarity 0.7041 NPC13696
Intermediate Similarity 0.7039 NPC204867
Intermediate Similarity 0.7024 NPC314252
Remote Similarity 0.6968 NPC471742
Remote Similarity 0.6963 NPC313293
Remote Similarity 0.6962 NPC150323
Remote Similarity 0.6951 NPC314098
Remote Similarity 0.6944 NPC139506
Remote Similarity 0.6944 NPC292143
Remote Similarity 0.6879 NPC146370
Remote Similarity 0.6862 NPC288305
Remote Similarity 0.6857 NPC241392
Remote Similarity 0.6857 NPC144691
Remote Similarity 0.6842 NPC472241
Remote Similarity 0.6839 NPC315829
Remote Similarity 0.6821 NPC472242
Remote Similarity 0.6809 NPC298320
Remote Similarity 0.6774 NPC470548
Remote Similarity 0.6757 NPC126676
Remote Similarity 0.6757 NPC469671
Remote Similarity 0.675 NPC130931
Remote Similarity 0.6748 NPC205946
Remote Similarity 0.6725 NPC204156
Remote Similarity 0.6719 NPC150308
Remote Similarity 0.6706 NPC159722
Remote Similarity 0.6701 NPC474059
Remote Similarity 0.6686 NPC173295
Remote Similarity 0.6685 NPC471652
Remote Similarity 0.6683 NPC317727
Remote Similarity 0.6667 NPC319645
Remote Similarity 0.6667 NPC316282
Remote Similarity 0.6648 NPC27904
Remote Similarity 0.6646 NPC222982
Remote Similarity 0.6629 NPC314223
Remote Similarity 0.6628 NPC472243
Remote Similarity 0.6617 NPC232600
Remote Similarity 0.6615 NPC5630
Remote Similarity 0.6614 NPC9475
Remote Similarity 0.6608 NPC43218
Remote Similarity 0.6598 NPC473815
Remote Similarity 0.6596 NPC248862
Remote Similarity 0.6596 NPC328611
Remote Similarity 0.6591 NPC259678
Remote Similarity 0.658 NPC235194
Remote Similarity 0.658 NPC132751
Remote Similarity 0.657 NPC181527
Remote Similarity 0.6566 NPC469816
Remote Similarity 0.6566 NPC469815
Remote Similarity 0.6559 NPC470971
Remote Similarity 0.6557 NPC93653
Remote Similarity 0.6533 NPC303214
Remote Similarity 0.6533 NPC125924
Remote Similarity 0.6529 NPC474473
Remote Similarity 0.6526 NPC14849
Remote Similarity 0.652 NPC133156
Remote Similarity 0.6517 NPC300596
Remote Similarity 0.6517 NPC237649
Remote Similarity 0.6506 NPC314278
Remote Similarity 0.6497 NPC478039
Remote Similarity 0.6492 NPC182057
Remote Similarity 0.6492 NPC131450
Remote Similarity 0.6492 NPC147298
Remote Similarity 0.6491 NPC470441
Remote Similarity 0.648 NPC18890
Remote Similarity 0.6476 NPC298449
Remote Similarity 0.6474 NPC471743
Remote Similarity 0.6474 NPC315224
Remote Similarity 0.6471 NPC313720
Remote Similarity 0.6471 NPC17160
Remote Similarity 0.6465 NPC114039
Remote Similarity 0.6465 NPC206109
Remote Similarity 0.6462 NPC288854
Remote Similarity 0.6456 NPC270918
Remote Similarity 0.6455 NPC73280
Remote Similarity 0.645 NPC120251
Remote Similarity 0.6446 NPC470343
Remote Similarity 0.6446 NPC472244
Remote Similarity 0.6445 NPC3207
Remote Similarity 0.6439 NPC313112
Remote Similarity 0.6439 NPC301292
Remote Similarity 0.6433 NPC266425
Remote Similarity 0.6432 NPC191863
Remote Similarity 0.6432 NPC133470
Remote Similarity 0.6432 NPC289776
Remote Similarity 0.6429 NPC122235
Remote Similarity 0.6422 NPC288759
Remote Similarity 0.6421 NPC475594
Remote Similarity 0.6419 NPC478141
Remote Similarity 0.6414 NPC92803
Remote Similarity 0.6414 NPC70340
Remote Similarity 0.6414 NPC203628
Remote Similarity 0.641 NPC477391
Remote Similarity 0.6402 NPC292265
Remote Similarity 0.6402 NPC174760
Remote Similarity 0.6402 NPC471648
Remote Similarity 0.6395 NPC473360
Remote Similarity 0.6391 NPC325651
Remote Similarity 0.6387 NPC475607
Remote Similarity 0.6386 NPC226794
Remote Similarity 0.6384 NPC314186
Remote Similarity 0.6383 NPC66490
Remote Similarity 0.6377 NPC478075
Remote Similarity 0.6377 NPC222561
Remote Similarity 0.6369 NPC72473
Remote Similarity 0.6369 NPC307437
Remote Similarity 0.6369 NPC58827
Remote Similarity 0.6368 NPC170333
Remote Similarity 0.6364 NPC309845
Remote Similarity 0.6354 NPC474081
Remote Similarity 0.6346 NPC100573
Remote Similarity 0.6346 NPC207873
Remote Similarity 0.6344 NPC88970
Remote Similarity 0.6343 NPC238108
Remote Similarity 0.6343 NPC47986
Remote Similarity 0.6341 NPC233282
Remote Similarity 0.6338 NPC126556
Remote Similarity 0.6337 NPC91615
Remote Similarity 0.6335 NPC95412
Remote Similarity 0.6333 NPC9894
Remote Similarity 0.6333 NPC295479
Remote Similarity 0.6333 NPC220241
Remote Similarity 0.6332 NPC28510
Remote Similarity 0.6332 NPC1820
Remote Similarity 0.6322 NPC287358
Remote Similarity 0.6321 NPC475761
Remote Similarity 0.6321 NPC474041
Remote Similarity 0.6316 NPC318183
Remote Similarity 0.6316 NPC257390
Remote Similarity 0.6316 NPC83241
Remote Similarity 0.6313 NPC316405
Remote Similarity 0.6308 NPC314659
Remote Similarity 0.6306 NPC100551
Remote Similarity 0.6305 NPC100863
Remote Similarity 0.6298 NPC308943
Remote Similarity 0.6294 NPC472245
Remote Similarity 0.6294 NPC87391
Remote Similarity 0.6293 NPC471944
Remote Similarity 0.6292 NPC297322
Remote Similarity 0.6286 NPC25961
Remote Similarity 0.6281 NPC45389
Remote Similarity 0.628 NPC268077
Remote Similarity 0.6277 NPC471130
Remote Similarity 0.6269 NPC315631
Remote Similarity 0.6268 NPC86834
Remote Similarity 0.6268 NPC210828
Remote Similarity 0.6265 NPC198336
Remote Similarity 0.6262 NPC169402
Remote Similarity 0.6262 NPC15987
Remote Similarity 0.6256 NPC197335
Remote Similarity 0.6256 NPC23294
Remote Similarity 0.6256 NPC327005
Remote Similarity 0.625 NPC276657
Remote Similarity 0.6238 NPC276517
Remote Similarity 0.6237 NPC475094
Remote Similarity 0.6237 NPC469243
Remote Similarity 0.6235 NPC160179
Remote Similarity 0.6232 NPC207971
Remote Similarity 0.6232 NPC41216
Remote Similarity 0.6228 NPC244351
Remote Similarity 0.6228 NPC283514
Remote Similarity 0.6224 NPC99723
Remote Similarity 0.6222 NPC17760
Remote Similarity 0.6222 NPC314702
Remote Similarity 0.622 NPC198160
Remote Similarity 0.6219 NPC226708
Remote Similarity 0.6215 NPC322064
Remote Similarity 0.6213 NPC4164
Remote Similarity 0.6212 NPC116007
Remote Similarity 0.6212 NPC83511
Remote Similarity 0.6211 NPC211421
Remote Similarity 0.621 NPC122886
Remote Similarity 0.6209 NPC474366
Remote Similarity 0.6209 NPC303951
Remote Similarity 0.6207 NPC108847
Remote Similarity 0.6205 NPC222524
Remote Similarity 0.62 NPC283207
Remote Similarity 0.6199 NPC194562
Remote Similarity 0.6196 NPC281686
Remote Similarity 0.6196 NPC188867
Remote Similarity 0.6196 NPC106551
Remote Similarity 0.6196 NPC128825

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  355.08
ALogP  -2.5399
MLogP  2.34
XLogP  3.021
HDA  8
HBD  2
Rotatable Bonds  11
TPSA  154.31
RO5 Violation  0