Drug ID:   | NPD9139 |
Drug Name:   | Isosorbide Mononitrate |
Molecular Formula:   | C6H9NO6 |
Canonical SMILES:   | O=N(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O |
Standard InCHI:   | InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1 |
Standard InCHIKey:   | YWXYYJSYQOXTPL-SLPGGIOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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 | NPC112363 |
Intermediate Similarity | 0.8478 | NPC85078 |
Intermediate Similarity | 0.7872 | NPC29721 |
Intermediate Similarity | 0.7609 | NPC266553 |
Intermediate Similarity | 0.74 | NPC230789 |
Intermediate Similarity | 0.74 | NPC252918 |
Intermediate Similarity | 0.7273 | NPC66052 |
Intermediate Similarity | 0.7273 | NPC325034 |
Intermediate Similarity | 0.7273 | NPC192065 |
Intermediate Similarity | 0.7273 | NPC293908 |
Intermediate Similarity | 0.7273 | NPC86412 |
Intermediate Similarity | 0.7143 | NPC70756 |
Intermediate Similarity | 0.7143 | NPC320240 |
Intermediate Similarity | 0.7115 | NPC82512 |
Intermediate Similarity | 0.7045 | NPC227267 |
Remote Similarity | 0.6981 | NPC323574 |
Remote Similarity | 0.6939 | NPC320189 |
Remote Similarity | 0.6863 | NPC285364 |
Remote Similarity | 0.6863 | NPC255377 |
Remote Similarity | 0.6863 | NPC92246 |
Remote Similarity | 0.6863 | NPC289758 |
Remote Similarity | 0.6863 | NPC176017 |
Remote Similarity | 0.6863 | NPC69445 |
Remote Similarity | 0.6863 | NPC199857 |
Remote Similarity | 0.6863 | NPC165846 |
Remote Similarity | 0.6863 | NPC73906 |
Remote Similarity | 0.6863 | NPC21209 |
Remote Similarity | 0.6852 | NPC329095 |
Remote Similarity | 0.6731 | NPC321087 |
Remote Similarity | 0.6731 | NPC277475 |
Remote Similarity | 0.6731 | NPC88638 |
Remote Similarity | 0.6727 | NPC103672 |
Remote Similarity | 0.6727 | NPC320043 |
Remote Similarity | 0.6667 | NPC207656 |
Remote Similarity | 0.6667 | NPC107091 |
Remote Similarity | 0.6607 | NPC130683 |
Remote Similarity | 0.6607 | NPC323361 |
Remote Similarity | 0.6604 | NPC14144 |
Remote Similarity | 0.6591 | NPC127074 |
Remote Similarity | 0.6591 | NPC149070 |
Remote Similarity | 0.6591 | NPC187058 |
Remote Similarity | 0.6591 | NPC182541 |
Remote Similarity | 0.6591 | NPC197207 |
Remote Similarity | 0.6531 | NPC111882 |
Remote Similarity | 0.6531 | NPC227707 |
Remote Similarity | 0.6531 | NPC102981 |
Remote Similarity | 0.6531 | NPC99573 |
Remote Similarity | 0.6531 | NPC88278 |
Remote Similarity | 0.6481 | NPC299781 |
Remote Similarity | 0.6481 | NPC282143 |
Remote Similarity | 0.6481 | NPC157193 |
Remote Similarity | 0.6481 | NPC42503 |
Remote Similarity | 0.6275 | NPC134252 |
Remote Similarity | 0.6275 | NPC291502 |
Remote Similarity | 0.6275 | NPC317182 |
Remote Similarity | 0.6275 | NPC86191 |
Remote Similarity | 0.6275 | NPC213159 |
Remote Similarity | 0.6275 | NPC298699 |
Remote Similarity | 0.625 | NPC23134 |
Remote Similarity | 0.625 | NPC124963 |
Remote Similarity | 0.625 | NPC326533 |
Remote Similarity | 0.625 | NPC233726 |
Remote Similarity | 0.6167 | NPC293692 |
Remote Similarity | 0.6167 | NPC219040 |
Remote Similarity | 0.6094 | NPC476702 |
Remote Similarity | 0.6071 | NPC322158 |
Remote Similarity | 0.6071 | NPC329128 |
Remote Similarity | 0.6066 | NPC290179 |
Remote Similarity | 0.6066 | NPC34877 |
Remote Similarity | 0.6034 | NPC89145 |
Remote Similarity | 0.6034 | NPC242073 |
Remote Similarity | 0.6034 | NPC145112 |
Remote Similarity | 0.6034 | NPC58629 |
Remote Similarity | 0.6034 | NPC269166 |
Remote Similarity | 0.6034 | NPC246558 |
Remote Similarity | 0.6034 | NPC165198 |
Remote Similarity | 0.6034 | NPC157514 |
Remote Similarity | 0.6034 | NPC317501 |
Remote Similarity | 0.6034 | NPC107914 |
Remote Similarity | 0.6034 | NPC317626 |
Remote Similarity | 0.6034 | NPC314821 |
Remote Similarity | 0.6034 | NPC67660 |
Remote Similarity | 0.5932 | NPC303727 |
Remote Similarity | 0.5909 | NPC33415 |
Remote Similarity | 0.5909 | NPC301586 |
Remote Similarity | 0.5893 | NPC46254 |
Remote Similarity | 0.5873 | NPC472026 |
Remote Similarity | 0.5833 | NPC326557 |
Remote Similarity | 0.5821 | NPC316445 |
Remote Similarity | 0.5818 | NPC314613 |
Remote Similarity | 0.5741 | NPC62014 |
Remote Similarity | 0.5738 | NPC148424 |
Remote Similarity | 0.5714 | NPC143326 |
Remote Similarity | 0.5714 | NPC247546 |
Remote Similarity | 0.5714 | NPC172086 |
Remote Similarity | 0.5714 | NPC313405 |
Remote Similarity | 0.5692 | NPC268243 |
Remote Similarity | 0.5682 | NPC320326 |
Remote Similarity | 0.5645 | NPC472025 |
Remote Similarity | 0.5645 | NPC322148 |
Remote Similarity | 0.5645 | NPC220922 |
Remote Similarity | 0.5614 | NPC325822 |
Remote Similarity | 0.5614 | NPC61270 |
Molecular Weight   | 191.04 |
ALogP   | -0.9611 |
MLogP   | 1.35 |
XLogP   | -0.908 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 3 |
TPSA   | 93.74 |
RO5 Violation   | 0 |