Drug ID:   | NPD290 |
Drug Name:   | Mephenesin |
Molecular Formula:   | C10H14O3 |
Canonical SMILES:   | OCC(COc1ccccc1C)O |
Standard InCHI:   | InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3 |
Standard InCHIKey:   | JWDYCNIAQWPBHD-UHFFFAOYSA-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 | NPC194034 |
High Similarity | 0.9143 | NPC46844 |
High Similarity | 0.8932 | NPC108875 |
High Similarity | 0.8932 | NPC38079 |
High Similarity | 0.8846 | NPC470393 |
High Similarity | 0.8818 | NPC290470 |
High Similarity | 0.8818 | NPC154256 |
High Similarity | 0.8796 | NPC115379 |
High Similarity | 0.8738 | NPC51633 |
High Similarity | 0.8725 | NPC100870 |
High Similarity | 0.8716 | NPC301735 |
High Similarity | 0.8679 | NPC251306 |
High Similarity | 0.8667 | NPC8302 |
High Similarity | 0.8661 | NPC329980 |
High Similarity | 0.8654 | NPC192596 |
High Similarity | 0.8627 | NPC95755 |
High Similarity | 0.8598 | NPC241549 |
High Similarity | 0.8596 | NPC473875 |
High Similarity | 0.8586 | NPC318429 |
High Similarity | 0.8522 | NPC226712 |
Intermediate Similarity | 0.8496 | NPC283616 |
Intermediate Similarity | 0.8476 | NPC305205 |
Intermediate Similarity | 0.8468 | NPC161696 |
Intermediate Similarity | 0.8435 | NPC475529 |
Intermediate Similarity | 0.8393 | NPC301321 |
Intermediate Similarity | 0.8364 | NPC55300 |
Intermediate Similarity | 0.8364 | NPC195873 |
Intermediate Similarity | 0.8349 | NPC474272 |
Intermediate Similarity | 0.8333 | NPC101503 |
Intermediate Similarity | 0.8304 | NPC470837 |
Intermediate Similarity | 0.8304 | NPC235250 |
Intermediate Similarity | 0.8288 | NPC165646 |
Intermediate Similarity | 0.8276 | NPC469412 |
Intermediate Similarity | 0.8276 | NPC269242 |
Intermediate Similarity | 0.8276 | NPC198734 |
Intermediate Similarity | 0.8273 | NPC137685 |
Intermediate Similarity | 0.8261 | NPC163036 |
Intermediate Similarity | 0.8235 | NPC470510 |
Intermediate Similarity | 0.8235 | NPC207179 |
Intermediate Similarity | 0.8235 | NPC167571 |
Intermediate Similarity | 0.8235 | NPC278552 |
Intermediate Similarity | 0.822 | NPC474130 |
Intermediate Similarity | 0.8208 | NPC84325 |
Intermediate Similarity | 0.8198 | NPC139617 |
Intermediate Similarity | 0.8198 | NPC78918 |
Intermediate Similarity | 0.819 | NPC60589 |
Intermediate Similarity | 0.819 | NPC471576 |
Intermediate Similarity | 0.819 | NPC193193 |
Intermediate Similarity | 0.819 | NPC469708 |
Intermediate Similarity | 0.8182 | NPC149545 |
Intermediate Similarity | 0.8165 | NPC227894 |
Intermediate Similarity | 0.8165 | NPC233320 |
Intermediate Similarity | 0.8165 | NPC258171 |
Intermediate Similarity | 0.8151 | NPC293701 |
Intermediate Similarity | 0.8151 | NPC48990 |
Intermediate Similarity | 0.8151 | NPC114901 |
Intermediate Similarity | 0.8148 | NPC227255 |
Intermediate Similarity | 0.8148 | NPC473855 |
Intermediate Similarity | 0.8137 | NPC321956 |
Intermediate Similarity | 0.8136 | NPC120638 |
Intermediate Similarity | 0.8136 | NPC46586 |
Intermediate Similarity | 0.8136 | NPC204535 |
Intermediate Similarity | 0.8136 | NPC71090 |
Intermediate Similarity | 0.8125 | NPC474920 |
Intermediate Similarity | 0.8125 | NPC266116 |
Intermediate Similarity | 0.8119 | NPC99886 |
Intermediate Similarity | 0.8119 | NPC177844 |
Intermediate Similarity | 0.8119 | NPC8002 |
Intermediate Similarity | 0.8119 | NPC259134 |
Intermediate Similarity | 0.8115 | NPC97326 |
Intermediate Similarity | 0.8108 | NPC106141 |
Intermediate Similarity | 0.8108 | NPC141068 |
Intermediate Similarity | 0.8103 | NPC311595 |
Intermediate Similarity | 0.8103 | NPC24474 |
Intermediate Similarity | 0.8103 | NPC135961 |
Intermediate Similarity | 0.8099 | NPC469386 |
Intermediate Similarity | 0.8087 | NPC142042 |
Intermediate Similarity | 0.8087 | NPC164386 |
Intermediate Similarity | 0.8083 | NPC141739 |
Intermediate Similarity | 0.8083 | NPC136112 |
Intermediate Similarity | 0.8073 | NPC326801 |
Intermediate Similarity | 0.8056 | NPC283546 |
Intermediate Similarity | 0.8056 | NPC130817 |
Intermediate Similarity | 0.8051 | NPC290451 |
Intermediate Similarity | 0.8051 | NPC127389 |
Intermediate Similarity | 0.8051 | NPC212965 |
Intermediate Similarity | 0.8051 | NPC470804 |
Intermediate Similarity | 0.8049 | NPC474491 |
Intermediate Similarity | 0.8039 | NPC71853 |
Intermediate Similarity | 0.8039 | NPC47950 |
Intermediate Similarity | 0.8036 | NPC257124 |
Intermediate Similarity | 0.8036 | NPC173746 |
Intermediate Similarity | 0.8036 | NPC8547 |
Intermediate Similarity | 0.8036 | NPC156840 |
Intermediate Similarity | 0.8034 | NPC35071 |
Intermediate Similarity | 0.8034 | NPC8283 |
Intermediate Similarity | 0.8034 | NPC31314 |
Intermediate Similarity | 0.8034 | NPC177475 |
Intermediate Similarity | 0.8034 | NPC232295 |
Intermediate Similarity | 0.8034 | NPC148615 |
Intermediate Similarity | 0.8034 | NPC258979 |
Intermediate Similarity | 0.8034 | NPC93398 |
Intermediate Similarity | 0.8033 | NPC146540 |
Intermediate Similarity | 0.8033 | NPC222572 |
Intermediate Similarity | 0.8033 | NPC40377 |
Intermediate Similarity | 0.8033 | NPC19694 |
Intermediate Similarity | 0.8033 | NPC87224 |
Intermediate Similarity | 0.8019 | NPC314803 |
Intermediate Similarity | 0.8018 | NPC36108 |
Intermediate Similarity | 0.8018 | NPC233731 |
Intermediate Similarity | 0.8018 | NPC7097 |
Intermediate Similarity | 0.8018 | NPC246358 |
Intermediate Similarity | 0.8017 | NPC474214 |
Intermediate Similarity | 0.8017 | NPC74821 |
Intermediate Similarity | 0.8017 | NPC212743 |
Intermediate Similarity | 0.8017 | NPC255675 |
Intermediate Similarity | 0.8 | NPC33717 |
Intermediate Similarity | 0.8 | NPC221049 |
Intermediate Similarity | 0.8 | NPC94276 |
Intermediate Similarity | 0.8 | NPC109822 |
Intermediate Similarity | 0.7984 | NPC103799 |
Intermediate Similarity | 0.7984 | NPC29734 |
Intermediate Similarity | 0.7983 | NPC188997 |
Intermediate Similarity | 0.7983 | NPC100099 |
Intermediate Similarity | 0.7983 | NPC476142 |
Intermediate Similarity | 0.7983 | NPC209567 |
Intermediate Similarity | 0.7983 | NPC36016 |
Intermediate Similarity | 0.7982 | NPC128730 |
Intermediate Similarity | 0.7966 | NPC96423 |
Intermediate Similarity | 0.7951 | NPC474119 |
Intermediate Similarity | 0.7951 | NPC163332 |
Intermediate Similarity | 0.7951 | NPC41706 |
Intermediate Similarity | 0.7951 | NPC473993 |
Intermediate Similarity | 0.7951 | NPC118787 |
Intermediate Similarity | 0.7951 | NPC183181 |
Intermediate Similarity | 0.7951 | NPC111247 |
Intermediate Similarity | 0.7951 | NPC292056 |
Intermediate Similarity | 0.7951 | NPC147821 |
Intermediate Similarity | 0.7951 | NPC319625 |
Intermediate Similarity | 0.7949 | NPC474320 |
Intermediate Similarity | 0.7949 | NPC320987 |
Intermediate Similarity | 0.7949 | NPC32152 |
Intermediate Similarity | 0.7949 | NPC295259 |
Intermediate Similarity | 0.7949 | NPC181969 |
Intermediate Similarity | 0.7946 | NPC88868 |
Intermediate Similarity | 0.7946 | NPC231251 |
Intermediate Similarity | 0.7946 | NPC25067 |
Intermediate Similarity | 0.7944 | NPC107101 |
Intermediate Similarity | 0.7934 | NPC131397 |
Intermediate Similarity | 0.7934 | NPC194519 |
Intermediate Similarity | 0.7934 | NPC476254 |
Intermediate Similarity | 0.7934 | NPC81641 |
Intermediate Similarity | 0.7928 | NPC291837 |
Intermediate Similarity | 0.7917 | NPC38761 |
Intermediate Similarity | 0.7917 | NPC76465 |
Intermediate Similarity | 0.7917 | NPC261992 |
Intermediate Similarity | 0.7913 | NPC473718 |
Intermediate Similarity | 0.7909 | NPC113457 |
Intermediate Similarity | 0.7909 | NPC135464 |
Intermediate Similarity | 0.7909 | NPC92623 |
Intermediate Similarity | 0.7909 | NPC176971 |
Intermediate Similarity | 0.7903 | NPC113098 |
Intermediate Similarity | 0.7899 | NPC343720 |
Intermediate Similarity | 0.7899 | NPC312675 |
Intermediate Similarity | 0.7899 | NPC54872 |
Intermediate Similarity | 0.7899 | NPC97432 |
Intermediate Similarity | 0.7899 | NPC113865 |
Intermediate Similarity | 0.7899 | NPC324571 |
Intermediate Similarity | 0.7899 | NPC476343 |
Intermediate Similarity | 0.7899 | NPC184651 |
Intermediate Similarity | 0.7899 | NPC262156 |
Intermediate Similarity | 0.7899 | NPC473853 |
Intermediate Similarity | 0.7899 | NPC190454 |
Intermediate Similarity | 0.7899 | NPC470212 |
Intermediate Similarity | 0.7895 | NPC90903 |
Intermediate Similarity | 0.789 | NPC292792 |
Intermediate Similarity | 0.789 | NPC474603 |
Intermediate Similarity | 0.789 | NPC12987 |
Intermediate Similarity | 0.7885 | NPC138117 |
Intermediate Similarity | 0.7885 | NPC325292 |
Intermediate Similarity | 0.7881 | NPC474131 |
Intermediate Similarity | 0.7876 | NPC275627 |
Intermediate Similarity | 0.7876 | NPC266932 |
Intermediate Similarity | 0.787 | NPC12714 |
Intermediate Similarity | 0.787 | NPC307425 |
Intermediate Similarity | 0.787 | NPC310905 |
Intermediate Similarity | 0.7869 | NPC58607 |
Intermediate Similarity | 0.7869 | NPC191037 |
Intermediate Similarity | 0.7869 | NPC276212 |
Intermediate Similarity | 0.7869 | NPC178284 |
Intermediate Similarity | 0.7857 | NPC475840 |
Intermediate Similarity | 0.7857 | NPC263064 |
Intermediate Similarity | 0.7851 | NPC246648 |
Intermediate Similarity | 0.7851 | NPC197351 |
Intermediate Similarity | 0.7851 | NPC287429 |
Intermediate Similarity | 0.7851 | NPC106914 |
Intermediate Similarity | 0.7851 | NPC134195 |
Intermediate Similarity | 0.7851 | NPC86502 |
Intermediate Similarity | 0.785 | NPC132725 |
Intermediate Similarity | 0.784 | NPC267336 |
Molecular Weight   | 182.09 |
ALogP   | -0.4599 |
MLogP   | 2.23 |
XLogP   | 1.294 |
HDA   | 2 |
HBD   | 2 |
Rotatable Bonds   | 7 |
TPSA   | 49.69 |
RO5 Violation   | 0 |