Drug Information

Drug ID:  NPD9277
Drug Name:  Aminosalicylic Acid
Molecular Formula:  C7H7NO3
Canonical SMILES:  Nc1ccc(c(c1)O)C(=O)O
Standard InCHI:  InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
Standard InCHIKey:  WUBBRNOQWQTFEX-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9277

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 NPC301702
High Similarity 0.8841 NPC316574
High Similarity 0.8582 NPC181526
Intermediate Similarity 0.8485 NPC150323
Intermediate Similarity 0.8095 NPC323798
Intermediate Similarity 0.7838 NPC13696
Intermediate Similarity 0.7823 NPC314252
Intermediate Similarity 0.7815 NPC315829
Intermediate Similarity 0.781 NPC130931
Intermediate Similarity 0.7794 NPC229353
Intermediate Similarity 0.7786 NPC205946
Intermediate Similarity 0.773 NPC314278
Intermediate Similarity 0.7687 NPC43218
Intermediate Similarity 0.7593 NPC471778
Intermediate Similarity 0.7576 NPC100551
Intermediate Similarity 0.7517 NPC314098
Intermediate Similarity 0.75 NPC199737
Intermediate Similarity 0.7467 NPC242933
Intermediate Similarity 0.7453 NPC204867
Intermediate Similarity 0.7391 NPC475983
Intermediate Similarity 0.7319 NPC160179
Intermediate Similarity 0.7273 NPC256838
Intermediate Similarity 0.7262 NPC9475
Intermediate Similarity 0.7229 NPC112336
Intermediate Similarity 0.7229 NPC474814
Intermediate Similarity 0.7194 NPC222982
Intermediate Similarity 0.7176 NPC298320
Intermediate Similarity 0.7174 NPC223004
Intermediate Similarity 0.7174 NPC211421
Intermediate Similarity 0.7152 NPC241392
Intermediate Similarity 0.7143 NPC312800
Intermediate Similarity 0.7143 NPC128825
Intermediate Similarity 0.7133 NPC253476
Intermediate Similarity 0.7107 NPC264400
Intermediate Similarity 0.7103 NPC226794
Intermediate Similarity 0.7059 NPC319645
Intermediate Similarity 0.7042 NPC241089
Intermediate Similarity 0.7042 NPC94637
Intermediate Similarity 0.7027 NPC122235
Remote Similarity 0.6993 NPC159722
Remote Similarity 0.6993 NPC90522
Remote Similarity 0.6993 NPC328459
Remote Similarity 0.6985 NPC303264
Remote Similarity 0.6972 NPC125252
Remote Similarity 0.6948 NPC181527
Remote Similarity 0.6944 NPC260837
Remote Similarity 0.6944 NPC72977
Remote Similarity 0.6944 NPC233282
Remote Similarity 0.6934 NPC224584
Remote Similarity 0.6911 NPC3207
Remote Similarity 0.6903 NPC238108
Remote Similarity 0.6875 NPC233165
Remote Similarity 0.6875 NPC184579
Remote Similarity 0.6859 NPC43477
Remote Similarity 0.6788 NPC187913
Remote Similarity 0.6783 NPC106551
Remote Similarity 0.6783 NPC188867
Remote Similarity 0.6783 NPC281686
Remote Similarity 0.6781 NPC179092
Remote Similarity 0.6781 NPC159760
Remote Similarity 0.6781 NPC26433
Remote Similarity 0.6781 NPC301987
Remote Similarity 0.6781 NPC115188
Remote Similarity 0.6781 NPC272454
Remote Similarity 0.6781 NPC244994
Remote Similarity 0.6781 NPC292665
Remote Similarity 0.6781 NPC178395
Remote Similarity 0.6781 NPC222876
Remote Similarity 0.6781 NPC35856
Remote Similarity 0.678 NPC150308
Remote Similarity 0.6778 NPC206109
Remote Similarity 0.6778 NPC114039
Remote Similarity 0.6765 NPC38262
Remote Similarity 0.6761 NPC276111
Remote Similarity 0.6761 NPC118288
Remote Similarity 0.6758 NPC303214
Remote Similarity 0.6757 NPC232600
Remote Similarity 0.675 NPC146370
Remote Similarity 0.6739 NPC29883
Remote Similarity 0.6738 NPC301292
Remote Similarity 0.6738 NPC313112
Remote Similarity 0.6735 NPC198336
Remote Similarity 0.6731 NPC469828
Remote Similarity 0.6728 NPC144691
Remote Similarity 0.672 NPC86834
Remote Similarity 0.672 NPC288759
Remote Similarity 0.672 NPC210828
Remote Similarity 0.6714 NPC9336
Remote Similarity 0.6709 NPC472241
Remote Similarity 0.669 NPC283844
Remote Similarity 0.6689 NPC311219
Remote Similarity 0.6689 NPC244351
Remote Similarity 0.6689 NPC283514
Remote Similarity 0.6688 NPC472243
Remote Similarity 0.6686 NPC98416
Remote Similarity 0.6684 NPC174760
Remote Similarity 0.6667 NPC184658
Remote Similarity 0.6667 NPC179468
Remote Similarity 0.6667 NPC166667
Remote Similarity 0.6667 NPC70201
Remote Similarity 0.6667 NPC4164
Remote Similarity 0.6646 NPC259678
Remote Similarity 0.6645 NPC173295
Remote Similarity 0.6644 NPC239697
Remote Similarity 0.6644 NPC161617
Remote Similarity 0.6643 NPC163154
Remote Similarity 0.663 NPC203628
Remote Similarity 0.6624 NPC238412
Remote Similarity 0.6623 NPC58827
Remote Similarity 0.6623 NPC95309
Remote Similarity 0.6623 NPC72473
Remote Similarity 0.6623 NPC307437
Remote Similarity 0.6621 NPC121259
Remote Similarity 0.6619 NPC141523
Remote Similarity 0.6615 NPC23294
Remote Similarity 0.6608 NPC470971
Remote Similarity 0.66 NPC236189
Remote Similarity 0.66 NPC91475
Remote Similarity 0.66 NPC470343
Remote Similarity 0.66 NPC265910
Remote Similarity 0.66 NPC472244
Remote Similarity 0.6597 NPC161304
Remote Similarity 0.6597 NPC188907
Remote Similarity 0.6597 NPC240163
Remote Similarity 0.6584 NPC472242
Remote Similarity 0.6579 NPC71525
Remote Similarity 0.6573 NPC98543
Remote Similarity 0.6569 NPC311660
Remote Similarity 0.6569 NPC13426
Remote Similarity 0.6562 NPC303951
Remote Similarity 0.6556 NPC240744
Remote Similarity 0.6556 NPC167055
Remote Similarity 0.6554 NPC297186
Remote Similarity 0.6554 NPC165197
Remote Similarity 0.6552 NPC108288
Remote Similarity 0.6545 NPC39679
Remote Similarity 0.6538 NPC28510
Remote Similarity 0.6536 NPC95537
Remote Similarity 0.6536 NPC477432
Remote Similarity 0.6536 NPC132751
Remote Similarity 0.6534 NPC474815
Remote Similarity 0.6533 NPC477153
Remote Similarity 0.6531 NPC188814
Remote Similarity 0.6531 NPC195262
Remote Similarity 0.6513 NPC321561
Remote Similarity 0.6513 NPC116238
Remote Similarity 0.651 NPC73532
Remote Similarity 0.651 NPC156139
Remote Similarity 0.651 NPC224273
Remote Similarity 0.651 NPC267552
Remote Similarity 0.651 NPC25168
Remote Similarity 0.651 NPC45438
Remote Similarity 0.651 NPC115159
Remote Similarity 0.651 NPC19174
Remote Similarity 0.651 NPC143427
Remote Similarity 0.6507 NPC269414
Remote Similarity 0.6507 NPC230349
Remote Similarity 0.6507 NPC217423
Remote Similarity 0.6507 NPC160199
Remote Similarity 0.6507 NPC28169
Remote Similarity 0.6493 NPC246679
Remote Similarity 0.649 NPC6888
Remote Similarity 0.6486 NPC170333
Remote Similarity 0.6484 NPC474059
Remote Similarity 0.6474 NPC133156
Remote Similarity 0.6471 NPC161593
Remote Similarity 0.6471 NPC16031
Remote Similarity 0.6471 NPC145888
Remote Similarity 0.6471 NPC214620
Remote Similarity 0.6471 NPC181715
Remote Similarity 0.6467 NPC133909
Remote Similarity 0.6467 NPC309765
Remote Similarity 0.6467 NPC297193
Remote Similarity 0.6467 NPC32032
Remote Similarity 0.6463 NPC184527
Remote Similarity 0.6463 NPC41567
Remote Similarity 0.6463 NPC317784
Remote Similarity 0.6463 NPC474890
Remote Similarity 0.6463 NPC40649
Remote Similarity 0.6463 NPC273282
Remote Similarity 0.6463 NPC161943
Remote Similarity 0.6463 NPC209486
Remote Similarity 0.6463 NPC142638
Remote Similarity 0.6455 NPC15987
Remote Similarity 0.6452 NPC31539
Remote Similarity 0.6452 NPC42292
Remote Similarity 0.6452 NPC307732
Remote Similarity 0.6447 NPC287473
Remote Similarity 0.6447 NPC201728
Remote Similarity 0.6447 NPC322433
Remote Similarity 0.6447 NPC262671
Remote Similarity 0.6447 NPC169402
Remote Similarity 0.6441 NPC126515
Remote Similarity 0.6441 NPC472331
Remote Similarity 0.6441 NPC274002
Remote Similarity 0.6438 NPC477453
Remote Similarity 0.6434 NPC114682
Remote Similarity 0.6423 NPC52472
Remote Similarity 0.642 NPC297322
Remote Similarity 0.6414 NPC247803

Drug Structure

External Identifiers

TTD  
DrugBank   DB00233
ChEMBL   CHEMBL1169
IUPHAR/BPS  
PharmaGKB   PA448382
KEGG Drug   D00162
PubChem CID  
ChEBI   27565
CAS Number  65-49-6

Drug Properties

Molecular Weight  153.04
ALogP  -1.45
MLogP  1.79
XLogP  1.023
HDA  3
HBD  3
Rotatable Bonds  4
TPSA  83.55
RO5 Violation  0