Drug ID:   | NPD9061 |
Drug Name:   | |
Molecular Formula:   | C6H15O15P3 |
Canonical SMILES:   | O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)O |
Standard InCHI:   | InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1 |
Standard InCHIKey:   | MMWCIQZXVOZEGG-XJTPDSDZSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
Max Developmental Stage Source:   | TTD |
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 | NPC61270 |
High Similarity | 1.0 | NPC325822 |
High Similarity | 0.9375 | NPC325153 |
High Similarity | 0.9375 | NPC278465 |
High Similarity | 0.9375 | NPC322803 |
High Similarity | 0.9375 | NPC321102 |
High Similarity | 0.913 | NPC314613 |
High Similarity | 0.8542 | NPC188428 |
High Similarity | 0.8542 | NPC318700 |
Intermediate Similarity | 0.8222 | NPC88278 |
Intermediate Similarity | 0.8222 | NPC227707 |
Intermediate Similarity | 0.8222 | NPC99573 |
Intermediate Similarity | 0.8222 | NPC102981 |
Intermediate Similarity | 0.8222 | NPC111882 |
Intermediate Similarity | 0.7857 | NPC174485 |
Intermediate Similarity | 0.7551 | NPC207656 |
Intermediate Similarity | 0.7551 | NPC107091 |
Intermediate Similarity | 0.7547 | NPC103672 |
Intermediate Similarity | 0.7547 | NPC320043 |
Intermediate Similarity | 0.7407 | NPC314821 |
Intermediate Similarity | 0.7407 | NPC317626 |
Intermediate Similarity | 0.7407 | NPC317501 |
Intermediate Similarity | 0.7358 | NPC329095 |
Intermediate Similarity | 0.7255 | NPC88638 |
Intermediate Similarity | 0.7111 | NPC192065 |
Intermediate Similarity | 0.7111 | NPC86412 |
Intermediate Similarity | 0.7111 | NPC325034 |
Intermediate Similarity | 0.7111 | NPC293908 |
Intermediate Similarity | 0.7111 | NPC66052 |
Intermediate Similarity | 0.7018 | NPC3547 |
Remote Similarity | 0.6735 | NPC266553 |
Remote Similarity | 0.6667 | NPC321873 |
Remote Similarity | 0.6545 | NPC322158 |
Remote Similarity | 0.6545 | NPC329128 |
Remote Similarity | 0.6444 | NPC197207 |
Remote Similarity | 0.6444 | NPC321170 |
Remote Similarity | 0.6444 | NPC149070 |
Remote Similarity | 0.6444 | NPC127074 |
Remote Similarity | 0.6444 | NPC31433 |
Remote Similarity | 0.6444 | NPC266566 |
Remote Similarity | 0.6444 | NPC187058 |
Remote Similarity | 0.6444 | NPC182541 |
Remote Similarity | 0.6393 | NPC323945 |
Remote Similarity | 0.6346 | NPC320240 |
Remote Similarity | 0.6346 | NPC70756 |
Remote Similarity | 0.6316 | NPC300235 |
Remote Similarity | 0.6316 | NPC476136 |
Remote Similarity | 0.6316 | NPC476149 |
Remote Similarity | 0.6316 | NPC244869 |
Remote Similarity | 0.629 | NPC320296 |
Remote Similarity | 0.6111 | NPC165846 |
Remote Similarity | 0.6111 | NPC21209 |
Remote Similarity | 0.6111 | NPC289758 |
Remote Similarity | 0.6111 | NPC199857 |
Remote Similarity | 0.6111 | NPC285364 |
Remote Similarity | 0.6111 | NPC176017 |
Remote Similarity | 0.6111 | NPC73906 |
Remote Similarity | 0.6111 | NPC92246 |
Remote Similarity | 0.6111 | NPC69445 |
Remote Similarity | 0.6111 | NPC255377 |
Remote Similarity | 0.6038 | NPC29721 |
Remote Similarity | 0.6027 | NPC317263 |
Remote Similarity | 0.6 | NPC321087 |
Remote Similarity | 0.6 | NPC277475 |
Remote Similarity | 0.5968 | NPC182903 |
Remote Similarity | 0.5893 | NPC14144 |
Remote Similarity | 0.5862 | NPC326533 |
Remote Similarity | 0.5789 | NPC42503 |
Remote Similarity | 0.5789 | NPC282143 |
Remote Similarity | 0.5789 | NPC299781 |
Remote Similarity | 0.5789 | NPC157193 |
Remote Similarity | 0.5789 | NPC328954 |
Remote Similarity | 0.5778 | NPC301586 |
Remote Similarity | 0.5778 | NPC325345 |
Remote Similarity | 0.5778 | NPC33415 |
Remote Similarity | 0.5714 | NPC252918 |
Remote Similarity | 0.5714 | NPC476209 |
Remote Similarity | 0.5714 | NPC230789 |
Remote Similarity | 0.569 | NPC323574 |
Remote Similarity | 0.5667 | NPC246558 |
Remote Similarity | 0.5667 | NPC242073 |
Remote Similarity | 0.5667 | NPC323361 |
Remote Similarity | 0.5667 | NPC157514 |
Remote Similarity | 0.5667 | NPC165198 |
Remote Similarity | 0.5667 | NPC107914 |
Remote Similarity | 0.5667 | NPC67660 |
Remote Similarity | 0.5667 | NPC89145 |
Remote Similarity | 0.5667 | NPC269166 |
Remote Similarity | 0.5667 | NPC130683 |
Remote Similarity | 0.5667 | NPC145112 |
Remote Similarity | 0.5667 | NPC58629 |
Remote Similarity | 0.5614 | NPC247546 |
Remote Similarity | 0.5614 | NPC172086 |
Remote Similarity | 0.5614 | NPC112363 |
Molecular Weight   | 419.96 |
ALogP   | -2.8716 |
MLogP   | 0.14 |
XLogP   | -7.29 |
HDA   | 15 |
HBD   | 9 |
Rotatable Bonds   | 15 |
TPSA   | 290.4 |
RO5 Violation   | 2 |