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