Drug ID:   | NPD9028 |
Drug Name:   | Duvoglustat |
Molecular Formula:   | C6H13NO4 |
Canonical SMILES:   | OC[C@H]1NC[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI:   | InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1 |
Standard InCHIKey:   | LXBIFEVIBLOUGU-JGWLITMVSA-N |
Max Developmental Stage:   | Phase 2 |
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 | NPC2432 |
High Similarity | 1.0 | NPC150680 |
High Similarity | 1.0 | NPC306462 |
High Similarity | 1.0 | NPC69669 |
High Similarity | 1.0 | NPC22774 |
High Similarity | 1.0 | NPC218150 |
High Similarity | 0.9661 | NPC142290 |
High Similarity | 0.9661 | NPC471892 |
High Similarity | 0.9661 | NPC75435 |
High Similarity | 0.9661 | NPC198341 |
High Similarity | 0.9661 | NPC471780 |
High Similarity | 0.9661 | NPC223386 |
High Similarity | 0.95 | NPC315980 |
High Similarity | 0.95 | NPC303798 |
High Similarity | 0.95 | NPC286851 |
High Similarity | 0.9474 | NPC143809 |
High Similarity | 0.9474 | NPC76726 |
High Similarity | 0.9474 | NPC290106 |
High Similarity | 0.9474 | NPC193593 |
High Similarity | 0.9194 | NPC471418 |
High Similarity | 0.9048 | NPC268922 |
High Similarity | 0.8966 | NPC204709 |
High Similarity | 0.8814 | NPC170172 |
High Similarity | 0.8769 | NPC137554 |
High Similarity | 0.8769 | NPC476695 |
High Similarity | 0.8769 | NPC255535 |
High Similarity | 0.8769 | NPC299603 |
High Similarity | 0.8769 | NPC28959 |
High Similarity | 0.8769 | NPC476696 |
High Similarity | 0.8769 | NPC476694 |
High Similarity | 0.8769 | NPC285014 |
Intermediate Similarity | 0.8281 | NPC116377 |
Intermediate Similarity | 0.8281 | NPC473952 |
Intermediate Similarity | 0.8281 | NPC69798 |
Intermediate Similarity | 0.8281 | NPC101746 |
Intermediate Similarity | 0.8281 | NPC77191 |
Intermediate Similarity | 0.8254 | NPC163134 |
Intermediate Similarity | 0.8254 | NPC471419 |
Intermediate Similarity | 0.8226 | NPC62507 |
Intermediate Similarity | 0.8226 | NPC8087 |
Intermediate Similarity | 0.7937 | NPC57846 |
Intermediate Similarity | 0.7937 | NPC474014 |
Intermediate Similarity | 0.7937 | NPC30126 |
Intermediate Similarity | 0.7917 | NPC98750 |
Intermediate Similarity | 0.7869 | NPC10262 |
Intermediate Similarity | 0.7869 | NPC65832 |
Intermediate Similarity | 0.7869 | NPC311668 |
Intermediate Similarity | 0.7846 | NPC474928 |
Intermediate Similarity | 0.7808 | NPC70574 |
Intermediate Similarity | 0.7794 | NPC473710 |
Intermediate Similarity | 0.7794 | NPC475694 |
Intermediate Similarity | 0.7761 | NPC126664 |
Intermediate Similarity | 0.7761 | NPC34291 |
Intermediate Similarity | 0.7619 | NPC471421 |
Intermediate Similarity | 0.7619 | NPC233364 |
Intermediate Similarity | 0.76 | NPC271772 |
Intermediate Similarity | 0.76 | NPC36927 |
Intermediate Similarity | 0.7571 | NPC474468 |
Intermediate Similarity | 0.7467 | NPC219340 |
Intermediate Similarity | 0.7377 | NPC272396 |
Intermediate Similarity | 0.7353 | NPC322801 |
Intermediate Similarity | 0.7353 | NPC129100 |
Intermediate Similarity | 0.7353 | NPC291650 |
Intermediate Similarity | 0.7333 | NPC100204 |
Intermediate Similarity | 0.7333 | NPC83248 |
Intermediate Similarity | 0.7313 | NPC233034 |
Intermediate Similarity | 0.7246 | NPC107224 |
Intermediate Similarity | 0.7215 | NPC469363 |
Intermediate Similarity | 0.7051 | NPC165119 |
Remote Similarity | 0.6984 | NPC275727 |
Remote Similarity | 0.6849 | NPC185084 |
Remote Similarity | 0.6769 | NPC8979 |
Remote Similarity | 0.6761 | NPC171850 |
Remote Similarity | 0.6753 | NPC150557 |
Remote Similarity | 0.6712 | NPC306973 |
Remote Similarity | 0.6707 | NPC306838 |
Remote Similarity | 0.6582 | NPC471420 |
Remote Similarity | 0.6575 | NPC115800 |
Remote Similarity | 0.6575 | NPC163538 |
Remote Similarity | 0.6528 | NPC474469 |
Remote Similarity | 0.6479 | NPC294883 |
Remote Similarity | 0.6479 | NPC12514 |
Remote Similarity | 0.6438 | NPC475127 |
Remote Similarity | 0.6438 | NPC475715 |
Remote Similarity | 0.6438 | NPC473419 |
Remote Similarity | 0.6389 | NPC141156 |
Remote Similarity | 0.6389 | NPC184150 |
Remote Similarity | 0.6364 | NPC244539 |
Remote Similarity | 0.6364 | NPC477002 |
Remote Similarity | 0.6351 | NPC223174 |
Remote Similarity | 0.6351 | NPC327753 |
Remote Similarity | 0.6351 | NPC327486 |
Remote Similarity | 0.6338 | NPC472609 |
Remote Similarity | 0.6324 | NPC268927 |
Remote Similarity | 0.6324 | NPC276928 |
Remote Similarity | 0.6324 | NPC64250 |
Remote Similarity | 0.6308 | NPC277072 |
Remote Similarity | 0.6308 | NPC178263 |
Remote Similarity | 0.6301 | NPC254617 |
Remote Similarity | 0.6301 | NPC306763 |
Remote Similarity | 0.6301 | NPC74555 |
Remote Similarity | 0.6301 | NPC266242 |
Remote Similarity | 0.6282 | NPC313762 |
Remote Similarity | 0.625 | NPC318258 |
Remote Similarity | 0.6164 | NPC196359 |
Remote Similarity | 0.6164 | NPC78312 |
Remote Similarity | 0.6164 | NPC135539 |
Remote Similarity | 0.6164 | NPC221764 |
Remote Similarity | 0.6164 | NPC59221 |
Remote Similarity | 0.6154 | NPC123814 |
Remote Similarity | 0.6104 | NPC26932 |
Remote Similarity | 0.6098 | NPC315969 |
Remote Similarity | 0.6087 | NPC315170 |
Remote Similarity | 0.6056 | NPC17455 |
Remote Similarity | 0.6049 | NPC314762 |
Remote Similarity | 0.6032 | NPC29222 |
Remote Similarity | 0.6032 | NPC121062 |
Remote Similarity | 0.6032 | NPC96966 |
Remote Similarity | 0.6024 | NPC263058 |
Remote Similarity | 0.6 | NPC314968 |
Remote Similarity | 0.6 | NPC314772 |
Remote Similarity | 0.6 | NPC68974 |
Remote Similarity | 0.5974 | NPC55274 |
Remote Similarity | 0.5972 | NPC88898 |
Remote Similarity | 0.5972 | NPC106216 |
Remote Similarity | 0.5909 | NPC474322 |
Remote Similarity | 0.5851 | NPC471628 |
Remote Similarity | 0.5851 | NPC56298 |
Remote Similarity | 0.5851 | NPC315036 |
Remote Similarity | 0.5833 | NPC145627 |
Remote Similarity | 0.5797 | NPC293551 |
Remote Similarity | 0.5789 | NPC223893 |
Remote Similarity | 0.5775 | NPC319131 |
Remote Similarity | 0.5747 | NPC313552 |
Remote Similarity | 0.5732 | NPC475363 |
Remote Similarity | 0.5732 | NPC473971 |
Remote Similarity | 0.5732 | NPC316807 |
Remote Similarity | 0.5732 | NPC473972 |
Remote Similarity | 0.5696 | NPC315806 |
Remote Similarity | 0.5696 | NPC208657 |
Remote Similarity | 0.5682 | NPC214376 |
Remote Similarity | 0.5682 | NPC123746 |
Remote Similarity | 0.5682 | NPC477060 |
Remote Similarity | 0.5682 | NPC314408 |
Remote Similarity | 0.5682 | NPC314007 |
Remote Similarity | 0.5682 | NPC43850 |
Remote Similarity | 0.5682 | NPC470282 |
Remote Similarity | 0.5676 | NPC41429 |
Remote Similarity | 0.567 | NPC221148 |
Remote Similarity | 0.5667 | NPC266553 |
Remote Similarity | 0.5625 | NPC78562 |
Remote Similarity | 0.5625 | NPC473588 |
Remote Similarity | 0.5614 | NPC66052 |
Remote Similarity | 0.5614 | NPC325034 |
Remote Similarity | 0.5614 | NPC86412 |
Remote Similarity | 0.5614 | NPC192065 |
Remote Similarity | 0.5614 | NPC293908 |
Remote Similarity | 0.561 | NPC37681 |
Remote Similarity | 0.5606 | NPC224624 |
Molecular Weight   | 163.08 |
ALogP   | -2.44 |
MLogP   | 1.57 |
XLogP   | -0.929 |
HDA   | 5 |
HBD   | 5 |
Rotatable Bonds   | 5 |
TPSA   | 92.95 |
RO5 Violation   | 0 |