Drug Information

Drug ID:  NPD9540
Drug Name:  Aminohippuric Acid
Molecular Formula:  C9H10N2O3
Canonical SMILES:  O=C(c1ccc(cc1)N)NCC(=O)O
Standard InCHI:  InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)
Standard InCHIKey:  HSMNQINEKMPTIC-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9540

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 NPC322433
Intermediate Similarity 0.7786 NPC43477
Intermediate Similarity 0.7714 NPC242933
Intermediate Similarity 0.7704 NPC194562
Intermediate Similarity 0.7669 NPC472244
Intermediate Similarity 0.7669 NPC470343
Intermediate Similarity 0.7564 NPC328611
Intermediate Similarity 0.7564 NPC248862
Intermediate Similarity 0.7559 NPC57051
Intermediate Similarity 0.7556 NPC72473
Intermediate Similarity 0.7556 NPC58827
Intermediate Similarity 0.7556 NPC307437
Intermediate Similarity 0.7551 NPC314223
Intermediate Similarity 0.7541 NPC38262
Intermediate Similarity 0.7519 NPC254698
Intermediate Similarity 0.7518 NPC319645
Intermediate Similarity 0.7482 NPC162417
Intermediate Similarity 0.7482 NPC316104
Intermediate Similarity 0.7468 NPC14849
Intermediate Similarity 0.7445 NPC472245
Intermediate Similarity 0.7424 NPC150323
Intermediate Similarity 0.7421 NPC147298
Intermediate Similarity 0.7421 NPC182057
Intermediate Similarity 0.7421 NPC131450
Intermediate Similarity 0.7413 NPC471164
Intermediate Similarity 0.7391 NPC314098
Intermediate Similarity 0.7357 NPC253476
Intermediate Similarity 0.7348 NPC226143
Intermediate Similarity 0.7333 NPC192533
Intermediate Similarity 0.7324 NPC287358
Intermediate Similarity 0.7324 NPC122553
Intermediate Similarity 0.7246 NPC150863
Intermediate Similarity 0.7241 NPC472241
Intermediate Similarity 0.7194 NPC314431
Intermediate Similarity 0.7194 NPC280807
Intermediate Similarity 0.7162 NPC478039
Intermediate Similarity 0.7153 NPC205946
Intermediate Similarity 0.7143 NPC314186
Intermediate Similarity 0.7122 NPC209389
Intermediate Similarity 0.7115 NPC189116
Intermediate Similarity 0.7115 NPC113056
Intermediate Similarity 0.7115 NPC138293
Intermediate Similarity 0.7095 NPC472242
Intermediate Similarity 0.7087 NPC172170
Intermediate Similarity 0.7063 NPC67043
Intermediate Similarity 0.7063 NPC173295
Intermediate Similarity 0.7055 NPC2823
Intermediate Similarity 0.7037 NPC279385
Intermediate Similarity 0.7037 NPC179605
Intermediate Similarity 0.7034 NPC238412
Intermediate Similarity 0.7027 NPC130797
Intermediate Similarity 0.7015 NPC229353
Remote Similarity 0.6986 NPC472243
Remote Similarity 0.6985 NPC103292
Remote Similarity 0.6972 NPC40364
Remote Similarity 0.6972 NPC207428
Remote Similarity 0.6934 NPC268534
Remote Similarity 0.6933 NPC324445
Remote Similarity 0.6912 NPC130931
Remote Similarity 0.6908 NPC473329
Remote Similarity 0.6838 NPC291962
Remote Similarity 0.6838 NPC177684
Remote Similarity 0.6824 NPC470301
Remote Similarity 0.6797 NPC476198
Remote Similarity 0.6795 NPC84317
Remote Similarity 0.6788 NPC161956
Remote Similarity 0.6788 NPC112373
Remote Similarity 0.6788 NPC258531
Remote Similarity 0.6739 NPC257490
Remote Similarity 0.6738 NPC314278
Remote Similarity 0.6733 NPC478040
Remote Similarity 0.6714 NPC226794
Remote Similarity 0.6713 NPC477432
Remote Similarity 0.6711 NPC259678
Remote Similarity 0.6709 NPC154478
Remote Similarity 0.6692 NPC55529
Remote Similarity 0.6691 NPC39818
Remote Similarity 0.6667 NPC291070
Remote Similarity 0.6667 NPC474926
Remote Similarity 0.6667 NPC126458
Remote Similarity 0.6667 NPC246757
Remote Similarity 0.6667 NPC27833
Remote Similarity 0.664 NPC122493
Remote Similarity 0.664 NPC10781
Remote Similarity 0.664 NPC293628
Remote Similarity 0.6613 NPC256452
Remote Similarity 0.6605 NPC182131
Remote Similarity 0.6597 NPC187231
Remote Similarity 0.6587 NPC475094
Remote Similarity 0.6585 NPC292265
Remote Similarity 0.6581 NPC13526
Remote Similarity 0.6579 NPC136002
Remote Similarity 0.6577 NPC469560
Remote Similarity 0.6564 NPC470971
Remote Similarity 0.6535 NPC75496
Remote Similarity 0.6533 NPC207554
Remote Similarity 0.6528 NPC122235
Remote Similarity 0.6516 NPC237649
Remote Similarity 0.6516 NPC300596
Remote Similarity 0.6512 NPC164859
Remote Similarity 0.6508 NPC324569
Remote Similarity 0.65 NPC36495
Remote Similarity 0.6497 NPC117032
Remote Similarity 0.649 NPC316202
Remote Similarity 0.6486 NPC300299
Remote Similarity 0.6471 NPC113099
Remote Similarity 0.6467 NPC83214
Remote Similarity 0.6467 NPC181527
Remote Similarity 0.6457 NPC322598
Remote Similarity 0.6456 NPC295021
Remote Similarity 0.6447 NPC301702
Remote Similarity 0.6446 NPC285622
Remote Similarity 0.6424 NPC315051
Remote Similarity 0.6403 NPC220698
Remote Similarity 0.6383 NPC71684
Remote Similarity 0.6382 NPC471574
Remote Similarity 0.6377 NPC239357
Remote Similarity 0.6374 NPC470317
Remote Similarity 0.637 NPC179224
Remote Similarity 0.6369 NPC241392
Remote Similarity 0.6352 NPC469903
Remote Similarity 0.6346 NPC315829
Remote Similarity 0.6337 NPC477003
Remote Similarity 0.6335 NPC61013
Remote Similarity 0.6335 NPC213914
Remote Similarity 0.6335 NPC222029
Remote Similarity 0.6335 NPC123241
Remote Similarity 0.6325 NPC471778
Remote Similarity 0.6319 NPC79698
Remote Similarity 0.631 NPC470548
Remote Similarity 0.6309 NPC474473
Remote Similarity 0.6303 NPC279527
Remote Similarity 0.6303 NPC214960
Remote Similarity 0.6301 NPC133003
Remote Similarity 0.6299 NPC314287
Remote Similarity 0.6296 NPC319579
Remote Similarity 0.6296 NPC469902
Remote Similarity 0.6296 NPC276085
Remote Similarity 0.6296 NPC193410
Remote Similarity 0.6296 NPC469901
Remote Similarity 0.6291 NPC132636
Remote Similarity 0.6291 NPC159722
Remote Similarity 0.6288 NPC473418
Remote Similarity 0.6287 NPC318183
Remote Similarity 0.6286 NPC316405
Remote Similarity 0.628 NPC328270
Remote Similarity 0.6276 NPC119326
Remote Similarity 0.6273 NPC63370
Remote Similarity 0.6273 NPC36836
Remote Similarity 0.6258 NPC309531
Remote Similarity 0.6258 NPC472102
Remote Similarity 0.6258 NPC248117
Remote Similarity 0.6258 NPC470822
Remote Similarity 0.625 NPC22746
Remote Similarity 0.625 NPC317758
Remote Similarity 0.625 NPC329011
Remote Similarity 0.625 NPC315224
Remote Similarity 0.625 NPC181390
Remote Similarity 0.625 NPC275410
Remote Similarity 0.625 NPC251391
Remote Similarity 0.625 NPC177261
Remote Similarity 0.6243 NPC471742
Remote Similarity 0.6241 NPC327481
Remote Similarity 0.6235 NPC104345
Remote Similarity 0.6235 NPC15573
Remote Similarity 0.6235 NPC217372
Remote Similarity 0.6235 NPC183662
Remote Similarity 0.6231 NPC326792
Remote Similarity 0.6228 NPC472118
Remote Similarity 0.6225 NPC471123
Remote Similarity 0.622 NPC293458
Remote Similarity 0.6212 NPC275467
Remote Similarity 0.6211 NPC209362
Remote Similarity 0.6209 NPC181526
Remote Similarity 0.6209 NPC130251
Remote Similarity 0.6209 NPC314252
Remote Similarity 0.6204 NPC474584
Remote Similarity 0.6199 NPC219336
Remote Similarity 0.6197 NPC316582
Remote Similarity 0.6194 NPC20322
Remote Similarity 0.619 NPC355
Remote Similarity 0.6188 NPC473002
Remote Similarity 0.6184 NPC316574
Remote Similarity 0.6179 NPC305602
Remote Similarity 0.6179 NPC17497
Remote Similarity 0.6178 NPC147983
Remote Similarity 0.6178 NPC177996
Remote Similarity 0.6175 NPC471944
Remote Similarity 0.6169 NPC301760
Remote Similarity 0.6167 NPC102592
Remote Similarity 0.6167 NPC79356
Remote Similarity 0.6164 NPC477937
Remote Similarity 0.616 NPC191444
Remote Similarity 0.616 NPC78154
Remote Similarity 0.6159 NPC68650
Remote Similarity 0.6159 NPC35850
Remote Similarity 0.6159 NPC276949
Remote Similarity 0.6158 NPC313293
Remote Similarity 0.6158 NPC324091
Remote Similarity 0.6154 NPC12730

Drug Structure

External Identifiers

TTD  
DrugBank   DB00345
ChEMBL   CHEMBL463
IUPHAR/BPS   4810
PharmaGKB   PA134711723
KEGG Drug   D06890
PubChem CID  
ChEBI   104011
CAS Number  61-78-9

Drug Properties

Molecular Weight  194.07
ALogP  -1.8263
MLogP  1.9
XLogP  -1.991
HDA  5
HBD  3
Rotatable Bonds  6
TPSA  92.42
RO5 Violation  0