Drug ID:   | NPD8808 |
Drug Name:   | Ornithine Oxoglurate |
Molecular Formula:   | C5H12N2O2.C5H6O5 |
Canonical SMILES:   | N[C@H](C(=O)O)CCCN.OC(=O)CCC(=O)C(=O)O |
Standard InCHI:   | InChI=1S/C5H12N2O2.C5H6O5/c6-3-1-2-4(7)5(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,6-7H2,(H,8,9);1-2H2,(H,7,8)(H,9,10)/t4-;/m0./s1 |
Standard InCHIKey:   | SLPUVFBNQHVEEU-WCCKRBBISA-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 | NPC140872 |
High Similarity | 1.0 | NPC93081 |
High Similarity | 0.8936 | NPC324825 |
High Similarity | 0.8936 | NPC112890 |
High Similarity | 0.8936 | NPC316231 |
High Similarity | 0.8889 | NPC118459 |
High Similarity | 0.8889 | NPC327698 |
High Similarity | 0.8864 | NPC276294 |
High Similarity | 0.86 | NPC183845 |
High Similarity | 0.86 | NPC279661 |
Intermediate Similarity | 0.8163 | NPC84636 |
Intermediate Similarity | 0.8163 | NPC226027 |
Intermediate Similarity | 0.8163 | NPC62045 |
Intermediate Similarity | 0.8163 | NPC245027 |
Intermediate Similarity | 0.8163 | NPC174246 |
Intermediate Similarity | 0.8163 | NPC43204 |
Intermediate Similarity | 0.8163 | NPC162620 |
Intermediate Similarity | 0.8125 | NPC101249 |
Intermediate Similarity | 0.8085 | NPC329263 |
Intermediate Similarity | 0.8039 | NPC197087 |
Intermediate Similarity | 0.8039 | NPC190184 |
Intermediate Similarity | 0.8 | NPC121517 |
Intermediate Similarity | 0.8 | NPC137958 |
Intermediate Similarity | 0.8 | NPC326992 |
Intermediate Similarity | 0.8 | NPC273330 |
Intermediate Similarity | 0.8 | NPC168375 |
Intermediate Similarity | 0.7963 | NPC11433 |
Intermediate Similarity | 0.7963 | NPC302003 |
Intermediate Similarity | 0.7963 | NPC245346 |
Intermediate Similarity | 0.7872 | NPC323974 |
Intermediate Similarity | 0.7857 | NPC118429 |
Intermediate Similarity | 0.7778 | NPC278209 |
Intermediate Similarity | 0.766 | NPC291186 |
Intermediate Similarity | 0.766 | NPC167986 |
Intermediate Similarity | 0.7636 | NPC189301 |
Intermediate Similarity | 0.7636 | NPC176164 |
Intermediate Similarity | 0.7593 | NPC38463 |
Intermediate Similarity | 0.7593 | NPC325985 |
Intermediate Similarity | 0.7586 | NPC226453 |
Intermediate Similarity | 0.7586 | NPC103130 |
Intermediate Similarity | 0.75 | NPC320598 |
Intermediate Similarity | 0.75 | NPC254541 |
Intermediate Similarity | 0.75 | NPC325097 |
Intermediate Similarity | 0.75 | NPC132307 |
Intermediate Similarity | 0.75 | NPC126925 |
Intermediate Similarity | 0.7407 | NPC2801 |
Intermediate Similarity | 0.74 | NPC136159 |
Intermediate Similarity | 0.7368 | NPC68974 |
Intermediate Similarity | 0.7333 | NPC327985 |
Intermediate Similarity | 0.7255 | NPC153370 |
Intermediate Similarity | 0.7234 | NPC66043 |
Intermediate Similarity | 0.7234 | NPC53449 |
Intermediate Similarity | 0.7234 | NPC237525 |
Intermediate Similarity | 0.7234 | NPC326212 |
Intermediate Similarity | 0.72 | NPC136476 |
Intermediate Similarity | 0.72 | NPC49952 |
Intermediate Similarity | 0.7193 | NPC321468 |
Intermediate Similarity | 0.7193 | NPC321536 |
Intermediate Similarity | 0.7193 | NPC276928 |
Intermediate Similarity | 0.7193 | NPC316826 |
Intermediate Similarity | 0.7193 | NPC317143 |
Intermediate Similarity | 0.7193 | NPC268927 |
Intermediate Similarity | 0.7193 | NPC64250 |
Intermediate Similarity | 0.7193 | NPC327748 |
Intermediate Similarity | 0.7174 | NPC18188 |
Intermediate Similarity | 0.7143 | NPC317147 |
Intermediate Similarity | 0.7143 | NPC318260 |
Intermediate Similarity | 0.7111 | NPC272614 |
Intermediate Similarity | 0.7111 | NPC116709 |
Intermediate Similarity | 0.7111 | NPC21290 |
Intermediate Similarity | 0.7091 | NPC322573 |
Intermediate Similarity | 0.7069 | NPC143722 |
Intermediate Similarity | 0.7069 | NPC327170 |
Intermediate Similarity | 0.7069 | NPC329564 |
Intermediate Similarity | 0.7049 | NPC287693 |
Intermediate Similarity | 0.7018 | NPC190385 |
Intermediate Similarity | 0.7 | NPC285322 |
Intermediate Similarity | 0.7 | NPC208793 |
Remote Similarity | 0.6984 | NPC133183 |
Remote Similarity | 0.6984 | NPC322274 |
Remote Similarity | 0.6981 | NPC125736 |
Remote Similarity | 0.6981 | NPC50457 |
Remote Similarity | 0.6957 | NPC63621 |
Remote Similarity | 0.6935 | NPC221764 |
Remote Similarity | 0.6935 | NPC78312 |
Remote Similarity | 0.6935 | NPC135539 |
Remote Similarity | 0.6935 | NPC196359 |
Remote Similarity | 0.6935 | NPC188231 |
Remote Similarity | 0.6935 | NPC222327 |
Remote Similarity | 0.6885 | NPC278881 |
Remote Similarity | 0.6863 | NPC213876 |
Remote Similarity | 0.6863 | NPC185755 |
Remote Similarity | 0.6863 | NPC309658 |
Remote Similarity | 0.6863 | NPC297220 |
Remote Similarity | 0.6852 | NPC155512 |
Remote Similarity | 0.68 | NPC198301 |
Remote Similarity | 0.6792 | NPC152451 |
Remote Similarity | 0.6792 | NPC270805 |
Remote Similarity | 0.6792 | NPC328378 |
Remote Similarity | 0.6792 | NPC193989 |
Remote Similarity | 0.6792 | NPC170739 |
Remote Similarity | 0.6792 | NPC93888 |
Remote Similarity | 0.6769 | NPC328457 |
Remote Similarity | 0.6731 | NPC181588 |
Remote Similarity | 0.6721 | NPC289691 |
Remote Similarity | 0.6719 | NPC15864 |
Remote Similarity | 0.6667 | NPC315977 |
Remote Similarity | 0.6613 | NPC174304 |
Remote Similarity | 0.6613 | NPC325597 |
Remote Similarity | 0.6607 | NPC322091 |
Remote Similarity | 0.6607 | NPC321118 |
Remote Similarity | 0.6607 | NPC60672 |
Remote Similarity | 0.6607 | NPC316889 |
Remote Similarity | 0.6567 | NPC320221 |
Remote Similarity | 0.6545 | NPC200550 |
Remote Similarity | 0.6545 | NPC322946 |
Remote Similarity | 0.6545 | NPC155156 |
Remote Similarity | 0.6508 | NPC325534 |
Remote Similarity | 0.6491 | NPC327831 |
Remote Similarity | 0.6471 | NPC327272 |
Remote Similarity | 0.6452 | NPC106216 |
Remote Similarity | 0.6452 | NPC88898 |
Remote Similarity | 0.6429 | NPC189178 |
Remote Similarity | 0.6429 | NPC333075 |
Remote Similarity | 0.6429 | NPC263065 |
Remote Similarity | 0.6429 | NPC8488 |
Remote Similarity | 0.6429 | NPC274499 |
Remote Similarity | 0.6429 | NPC317815 |
Remote Similarity | 0.6418 | NPC315897 |
Remote Similarity | 0.6415 | NPC204364 |
Remote Similarity | 0.6406 | NPC60424 |
Remote Similarity | 0.6406 | NPC314221 |
Remote Similarity | 0.6406 | NPC118524 |
Remote Similarity | 0.64 | NPC317691 |
Remote Similarity | 0.64 | NPC254482 |
Remote Similarity | 0.64 | NPC326808 |
Remote Similarity | 0.64 | NPC226265 |
Remote Similarity | 0.64 | NPC219143 |
Remote Similarity | 0.64 | NPC110533 |
Remote Similarity | 0.6383 | NPC9294 |
Remote Similarity | 0.6364 | NPC114990 |
Remote Similarity | 0.6349 | NPC50047 |
Remote Similarity | 0.6308 | NPC107224 |
Remote Similarity | 0.6308 | NPC319046 |
Remote Similarity | 0.6296 | NPC327542 |
Remote Similarity | 0.625 | NPC19576 |
Remote Similarity | 0.625 | NPC29950 |
Remote Similarity | 0.623 | NPC177191 |
Remote Similarity | 0.6226 | NPC198196 |
Remote Similarity | 0.6212 | NPC126779 |
Remote Similarity | 0.6207 | NPC102815 |
Remote Similarity | 0.619 | NPC315744 |
Remote Similarity | 0.6167 | NPC319279 |
Remote Similarity | 0.614 | NPC329495 |
Remote Similarity | 0.6111 | NPC316168 |
Remote Similarity | 0.6094 | NPC160661 |
Remote Similarity | 0.6087 | NPC114517 |
Remote Similarity | 0.6071 | NPC327239 |
Remote Similarity | 0.6071 | NPC319175 |
Remote Similarity | 0.5968 | NPC321419 |
Remote Similarity | 0.5965 | NPC202525 |
Remote Similarity | 0.5942 | NPC185084 |
Remote Similarity | 0.5932 | NPC10915 |
Remote Similarity | 0.5926 | NPC228932 |
Remote Similarity | 0.5918 | NPC69179 |
Remote Similarity | 0.5909 | NPC126681 |
Remote Similarity | 0.5893 | NPC17244 |
Remote Similarity | 0.5893 | NPC286989 |
Remote Similarity | 0.5873 | NPC322206 |
Remote Similarity | 0.5862 | NPC245768 |
Remote Similarity | 0.5818 | NPC118187 |
Remote Similarity | 0.5781 | NPC327252 |
Remote Similarity | 0.5778 | NPC174368 |
Remote Similarity | 0.5763 | NPC145235 |
Remote Similarity | 0.5741 | NPC191136 |
Remote Similarity | 0.5714 | NPC318523 |
Remote Similarity | 0.5714 | NPC227850 |
Remote Similarity | 0.566 | NPC107645 |
Remote Similarity | 0.5645 | NPC112224 |
Remote Similarity | 0.5645 | NPC327895 |
Remote Similarity | 0.5645 | NPC43169 |
Remote Similarity | 0.5645 | NPC93861 |
Remote Similarity | 0.5625 | NPC302188 |
Remote Similarity | 0.5606 | NPC472609 |
Molecular Weight   | 132.09 |
ALogP   | -2.4611 |
MLogP   | 1.57 |
XLogP   | -3.307 |
HDA   | 4 |
HBD   | 3 |
Rotatable Bonds   | 7 |
TPSA   | 89.34 |
RO5 Violation   | 0 |