Drug ID:   | NPD9016 |
Drug Name:   | |
Molecular Formula:   | C6H13NO2 |
Canonical SMILES:   | CCCC[C@@H](C(=O)O)N |
Standard InCHI:   | InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 |
Standard InCHIKey:   | LRQKBLKVPFOOQJ-YFKPBYRVSA-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 | 0.9565 | NPC112890 |
High Similarity | 0.9565 | NPC316231 |
High Similarity | 0.9565 | NPC324825 |
High Similarity | 0.9111 | NPC118459 |
High Similarity | 0.9111 | NPC327698 |
High Similarity | 0.8889 | NPC323974 |
High Similarity | 0.88 | NPC183845 |
High Similarity | 0.88 | NPC279661 |
High Similarity | 0.8654 | NPC278209 |
High Similarity | 0.8542 | NPC93081 |
High Similarity | 0.8542 | NPC140872 |
Intermediate Similarity | 0.8491 | NPC189301 |
Intermediate Similarity | 0.8491 | NPC176164 |
Intermediate Similarity | 0.8367 | NPC84636 |
Intermediate Similarity | 0.8367 | NPC226027 |
Intermediate Similarity | 0.8367 | NPC245027 |
Intermediate Similarity | 0.8367 | NPC174246 |
Intermediate Similarity | 0.8367 | NPC43204 |
Intermediate Similarity | 0.8367 | NPC162620 |
Intermediate Similarity | 0.8367 | NPC62045 |
Intermediate Similarity | 0.8333 | NPC254541 |
Intermediate Similarity | 0.8222 | NPC168375 |
Intermediate Similarity | 0.8222 | NPC326992 |
Intermediate Similarity | 0.8222 | NPC121517 |
Intermediate Similarity | 0.8 | NPC320598 |
Intermediate Similarity | 0.8 | NPC268927 |
Intermediate Similarity | 0.8 | NPC64250 |
Intermediate Similarity | 0.8 | NPC276928 |
Intermediate Similarity | 0.7872 | NPC167986 |
Intermediate Similarity | 0.7872 | NPC276294 |
Intermediate Similarity | 0.7872 | NPC291186 |
Intermediate Similarity | 0.7857 | NPC68974 |
Intermediate Similarity | 0.7843 | NPC273330 |
Intermediate Similarity | 0.7843 | NPC137958 |
Intermediate Similarity | 0.7843 | NPC50457 |
Intermediate Similarity | 0.7708 | NPC325097 |
Intermediate Similarity | 0.7708 | NPC126925 |
Intermediate Similarity | 0.7708 | NPC132307 |
Intermediate Similarity | 0.7692 | NPC155512 |
Intermediate Similarity | 0.7593 | NPC2801 |
Intermediate Similarity | 0.7551 | NPC329263 |
Intermediate Similarity | 0.7547 | NPC197087 |
Intermediate Similarity | 0.7547 | NPC190184 |
Intermediate Similarity | 0.7455 | NPC38463 |
Intermediate Similarity | 0.7447 | NPC53449 |
Intermediate Similarity | 0.7447 | NPC66043 |
Intermediate Similarity | 0.7333 | NPC272614 |
Intermediate Similarity | 0.7333 | NPC278881 |
Intermediate Similarity | 0.7333 | NPC21290 |
Intermediate Similarity | 0.7333 | NPC116709 |
Intermediate Similarity | 0.7255 | NPC101249 |
Intermediate Similarity | 0.7193 | NPC302003 |
Intermediate Similarity | 0.7193 | NPC190385 |
Intermediate Similarity | 0.7193 | NPC11433 |
Intermediate Similarity | 0.7193 | NPC245346 |
Intermediate Similarity | 0.7143 | NPC325985 |
Intermediate Similarity | 0.7097 | NPC188231 |
Intermediate Similarity | 0.7097 | NPC222327 |
Intermediate Similarity | 0.7097 | NPC60424 |
Intermediate Similarity | 0.7097 | NPC314221 |
Intermediate Similarity | 0.7069 | NPC317143 |
Intermediate Similarity | 0.7069 | NPC327748 |
Intermediate Similarity | 0.7069 | NPC321468 |
Intermediate Similarity | 0.7069 | NPC316826 |
Intermediate Similarity | 0.7059 | NPC136476 |
Intermediate Similarity | 0.7059 | NPC49952 |
Intermediate Similarity | 0.7021 | NPC18188 |
Intermediate Similarity | 0.7018 | NPC318260 |
Intermediate Similarity | 0.7018 | NPC317147 |
Intermediate Similarity | 0.7 | NPC198301 |
Remote Similarity | 0.6984 | NPC107224 |
Remote Similarity | 0.6981 | NPC270805 |
Remote Similarity | 0.6981 | NPC170739 |
Remote Similarity | 0.6981 | NPC152451 |
Remote Similarity | 0.6981 | NPC193989 |
Remote Similarity | 0.6981 | NPC93888 |
Remote Similarity | 0.6964 | NPC322573 |
Remote Similarity | 0.6949 | NPC329564 |
Remote Similarity | 0.6949 | NPC327170 |
Remote Similarity | 0.6923 | NPC136159 |
Remote Similarity | 0.6897 | NPC319279 |
Remote Similarity | 0.6875 | NPC15864 |
Remote Similarity | 0.6863 | NPC208793 |
Remote Similarity | 0.6863 | NPC285322 |
Remote Similarity | 0.6852 | NPC315977 |
Remote Similarity | 0.6833 | NPC118429 |
Remote Similarity | 0.6818 | NPC315897 |
Remote Similarity | 0.6809 | NPC63621 |
Remote Similarity | 0.6792 | NPC153370 |
Remote Similarity | 0.678 | NPC321536 |
Remote Similarity | 0.6735 | NPC326212 |
Remote Similarity | 0.6735 | NPC237525 |
Remote Similarity | 0.6731 | NPC297220 |
Remote Similarity | 0.6731 | NPC309658 |
Remote Similarity | 0.6727 | NPC322946 |
Remote Similarity | 0.6667 | NPC175342 |
Remote Similarity | 0.6667 | NPC143722 |
Remote Similarity | 0.6667 | NPC328378 |
Remote Similarity | 0.6613 | NPC226453 |
Remote Similarity | 0.6613 | NPC315744 |
Remote Similarity | 0.6613 | NPC103130 |
Remote Similarity | 0.6607 | NPC263065 |
Remote Similarity | 0.6607 | NPC189178 |
Remote Similarity | 0.6607 | NPC317815 |
Remote Similarity | 0.6604 | NPC204364 |
Remote Similarity | 0.6596 | NPC9294 |
Remote Similarity | 0.6567 | NPC185084 |
Remote Similarity | 0.6545 | NPC125736 |
Remote Similarity | 0.6508 | NPC472609 |
Remote Similarity | 0.6491 | NPC316889 |
Remote Similarity | 0.6491 | NPC321118 |
Remote Similarity | 0.6429 | NPC200550 |
Remote Similarity | 0.6429 | NPC155156 |
Remote Similarity | 0.6415 | NPC213876 |
Remote Similarity | 0.6415 | NPC198196 |
Remote Similarity | 0.6415 | NPC185755 |
Remote Similarity | 0.6406 | NPC327985 |
Remote Similarity | 0.6379 | NPC102815 |
Remote Similarity | 0.6364 | NPC322274 |
Remote Similarity | 0.6364 | NPC133183 |
Remote Similarity | 0.6349 | NPC106216 |
Remote Similarity | 0.6349 | NPC88898 |
Remote Similarity | 0.6349 | NPC289691 |
Remote Similarity | 0.6308 | NPC196359 |
Remote Similarity | 0.6308 | NPC78312 |
Remote Similarity | 0.6308 | NPC135539 |
Remote Similarity | 0.6308 | NPC221764 |
Remote Similarity | 0.6304 | NPC328710 |
Remote Similarity | 0.6304 | NPC18224 |
Remote Similarity | 0.6296 | NPC181588 |
Remote Similarity | 0.629 | NPC302188 |
Remote Similarity | 0.6275 | NPC226265 |
Remote Similarity | 0.6275 | NPC326808 |
Remote Similarity | 0.6275 | NPC219143 |
Remote Similarity | 0.6275 | NPC254482 |
Remote Similarity | 0.6275 | NPC110533 |
Remote Similarity | 0.6275 | NPC317691 |
Remote Similarity | 0.625 | NPC155263 |
Remote Similarity | 0.625 | NPC50047 |
Remote Similarity | 0.625 | NPC325597 |
Remote Similarity | 0.625 | NPC174304 |
Remote Similarity | 0.6207 | NPC60672 |
Remote Similarity | 0.6207 | NPC322091 |
Remote Similarity | 0.6182 | NPC29222 |
Remote Similarity | 0.6182 | NPC96966 |
Remote Similarity | 0.6182 | NPC327542 |
Remote Similarity | 0.6182 | NPC121062 |
Remote Similarity | 0.6154 | NPC325534 |
Remote Similarity | 0.6154 | NPC287693 |
Remote Similarity | 0.614 | NPC29950 |
Remote Similarity | 0.614 | NPC19576 |
Remote Similarity | 0.6122 | NPC109026 |
Remote Similarity | 0.6122 | NPC252843 |
Remote Similarity | 0.6102 | NPC327831 |
Remote Similarity | 0.6094 | NPC57420 |
Remote Similarity | 0.6061 | NPC118524 |
Remote Similarity | 0.6042 | NPC317203 |
Remote Similarity | 0.6034 | NPC8488 |
Remote Similarity | 0.6034 | NPC123814 |
Remote Similarity | 0.6034 | NPC274499 |
Remote Similarity | 0.6034 | NPC333075 |
Remote Similarity | 0.6034 | NPC474322 |
Remote Similarity | 0.6 | NPC174368 |
Remote Similarity | 0.6 | NPC73245 |
Remote Similarity | 0.597 | NPC319046 |
Remote Similarity | 0.5965 | NPC114990 |
Remote Similarity | 0.5957 | NPC114517 |
Remote Similarity | 0.5942 | NPC328457 |
Remote Similarity | 0.5942 | NPC306973 |
Remote Similarity | 0.5926 | NPC191136 |
Remote Similarity | 0.5918 | NPC134782 |
Remote Similarity | 0.5915 | NPC327272 |
Remote Similarity | 0.5909 | NPC470108 |
Remote Similarity | 0.5893 | NPC193872 |
Remote Similarity | 0.5893 | NPC227850 |
Remote Similarity | 0.5882 | NPC126779 |
Remote Similarity | 0.5882 | NPC279026 |
Remote Similarity | 0.5882 | NPC301585 |
Remote Similarity | 0.5882 | NPC261080 |
Remote Similarity | 0.5882 | NPC301696 |
Remote Similarity | 0.5882 | NPC14227 |
Remote Similarity | 0.5882 | NPC113928 |
Remote Similarity | 0.5882 | NPC154186 |
Remote Similarity | 0.5882 | NPC201844 |
Remote Similarity | 0.5873 | NPC177191 |
Remote Similarity | 0.5873 | NPC321419 |
Remote Similarity | 0.5867 | NPC219340 |
Remote Similarity | 0.5857 | NPC55274 |
Remote Similarity | 0.5821 | NPC470109 |
Remote Similarity | 0.5818 | NPC228932 |
Remote Similarity | 0.5789 | NPC286989 |
Remote Similarity | 0.5789 | NPC17244 |
Remote Similarity | 0.5781 | NPC477644 |
Remote Similarity | 0.5778 | NPC126681 |
Remote Similarity | 0.5775 | NPC208657 |
Remote Similarity | 0.5775 | NPC320221 |
Remote Similarity | 0.5763 | NPC329495 |
Remote Similarity | 0.5758 | NPC160661 |
Remote Similarity | 0.5735 | NPC470110 |
Remote Similarity | 0.5714 | NPC316168 |
Molecular Weight   | 131.09 |
ALogP   | -1.9595 |
MLogP   | 1.79 |
XLogP   | -1.328 |
HDA   | 3 |
HBD   | 2 |
Rotatable Bonds   | 7 |
TPSA   | 63.32 |
RO5 Violation   | 0 |