Drug ID:   | NPD5734 |
Drug Name:   | |
Molecular Formula:   | C23H32O2 |
Canonical SMILES:   | C/C(=CC=CC(=CC(=O)O)C)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C |
Standard InCHI:   | InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)/b10-9+,16-12+,17-11+ |
Standard InCHIKey:   | JMPZTWDLOGTBPM-OUQSKUGOSA-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 | 0.8736 | NPC26224 |
High Similarity | 0.8571 | NPC133135 |
High Similarity | 0.8571 | NPC251579 |
High Similarity | 0.85 | NPC206800 |
High Similarity | 0.85 | NPC32203 |
Intermediate Similarity | 0.8415 | NPC50192 |
Intermediate Similarity | 0.8333 | NPC475057 |
Intermediate Similarity | 0.8256 | NPC267704 |
Intermediate Similarity | 0.8222 | NPC475023 |
Intermediate Similarity | 0.8222 | NPC475059 |
Intermediate Similarity | 0.8118 | NPC242628 |
Intermediate Similarity | 0.7857 | NPC3672 |
Intermediate Similarity | 0.7857 | NPC287790 |
Intermediate Similarity | 0.7826 | NPC86987 |
Intermediate Similarity | 0.7723 | NPC470039 |
Intermediate Similarity | 0.7701 | NPC303245 |
Intermediate Similarity | 0.7683 | NPC155429 |
Intermediate Similarity | 0.7677 | NPC472222 |
Intermediate Similarity | 0.7677 | NPC472221 |
Intermediate Similarity | 0.7674 | NPC167577 |
Intermediate Similarity | 0.7674 | NPC78517 |
Intermediate Similarity | 0.764 | NPC44546 |
Intermediate Similarity | 0.7629 | NPC80115 |
Intermediate Similarity | 0.7558 | NPC176228 |
Intermediate Similarity | 0.7556 | NPC53299 |
Intermediate Similarity | 0.7556 | NPC123476 |
Intermediate Similarity | 0.7551 | NPC469481 |
Intermediate Similarity | 0.7529 | NPC175393 |
Intermediate Similarity | 0.7528 | NPC243289 |
Intermediate Similarity | 0.7528 | NPC44830 |
Intermediate Similarity | 0.7528 | NPC208183 |
Intermediate Similarity | 0.7526 | NPC120393 |
Intermediate Similarity | 0.7526 | NPC135951 |
Intermediate Similarity | 0.7526 | NPC154517 |
Intermediate Similarity | 0.75 | NPC89950 |
Intermediate Similarity | 0.7471 | NPC469894 |
Intermediate Similarity | 0.7426 | NPC243677 |
Intermediate Similarity | 0.7423 | NPC469892 |
Intermediate Similarity | 0.7423 | NPC469890 |
Intermediate Similarity | 0.7423 | NPC469891 |
Intermediate Similarity | 0.7416 | NPC99240 |
Intermediate Similarity | 0.7375 | NPC32312 |
Intermediate Similarity | 0.7374 | NPC136810 |
Intermediate Similarity | 0.7374 | NPC128248 |
Intermediate Similarity | 0.7374 | NPC225079 |
Intermediate Similarity | 0.7374 | NPC133809 |
Intermediate Similarity | 0.7374 | NPC264728 |
Intermediate Similarity | 0.7342 | NPC29680 |
Intermediate Similarity | 0.732 | NPC469893 |
Intermediate Similarity | 0.7317 | NPC82770 |
Intermediate Similarity | 0.7317 | NPC239931 |
Intermediate Similarity | 0.7317 | NPC311343 |
Intermediate Similarity | 0.7317 | NPC78954 |
Intermediate Similarity | 0.7312 | NPC329064 |
Intermediate Similarity | 0.7303 | NPC71795 |
Intermediate Similarity | 0.7284 | NPC178527 |
Intermediate Similarity | 0.7282 | NPC249811 |
Intermediate Similarity | 0.7255 | NPC303141 |
Intermediate Similarity | 0.725 | NPC45756 |
Intermediate Similarity | 0.7245 | NPC226041 |
Intermediate Similarity | 0.7238 | NPC95126 |
Intermediate Similarity | 0.7238 | NPC133308 |
Intermediate Similarity | 0.7238 | NPC475002 |
Intermediate Similarity | 0.7229 | NPC98880 |
Intermediate Similarity | 0.7215 | NPC210849 |
Intermediate Similarity | 0.7215 | NPC150196 |
Intermediate Similarity | 0.7204 | NPC322387 |
Intermediate Similarity | 0.7204 | NPC96625 |
Intermediate Similarity | 0.7191 | NPC285716 |
Intermediate Similarity | 0.7191 | NPC17408 |
Intermediate Similarity | 0.7191 | NPC127343 |
Intermediate Similarity | 0.7188 | NPC59677 |
Intermediate Similarity | 0.7184 | NPC477251 |
Intermediate Similarity | 0.7174 | NPC475710 |
Intermediate Similarity | 0.7172 | NPC179411 |
Intermediate Similarity | 0.7172 | NPC229242 |
Intermediate Similarity | 0.717 | NPC139946 |
Intermediate Similarity | 0.7158 | NPC70940 |
Intermediate Similarity | 0.7158 | NPC213156 |
Intermediate Similarity | 0.7158 | NPC240108 |
Intermediate Similarity | 0.7158 | NPC274455 |
Intermediate Similarity | 0.7158 | NPC86670 |
Intermediate Similarity | 0.7143 | NPC324835 |
Intermediate Similarity | 0.7143 | NPC308619 |
Intermediate Similarity | 0.7143 | NPC30361 |
Intermediate Similarity | 0.7143 | NPC127491 |
Intermediate Similarity | 0.7143 | NPC95289 |
Intermediate Similarity | 0.7143 | NPC477770 |
Intermediate Similarity | 0.7129 | NPC304873 |
Intermediate Similarity | 0.7115 | NPC21929 |
Intermediate Similarity | 0.7113 | NPC23453 |
Intermediate Similarity | 0.7111 | NPC133050 |
Intermediate Similarity | 0.71 | NPC217621 |
Intermediate Similarity | 0.71 | NPC221825 |
Intermediate Similarity | 0.7097 | NPC474211 |
Intermediate Similarity | 0.7097 | NPC243166 |
Intermediate Similarity | 0.7089 | NPC147062 |
Intermediate Similarity | 0.7083 | NPC472319 |
Intermediate Similarity | 0.7083 | NPC284475 |
Intermediate Similarity | 0.7079 | NPC170484 |
Intermediate Similarity | 0.7071 | NPC278228 |
Intermediate Similarity | 0.7071 | NPC239185 |
Intermediate Similarity | 0.7059 | NPC329556 |
Intermediate Similarity | 0.7059 | NPC470202 |
Intermediate Similarity | 0.7059 | NPC326200 |
Intermediate Similarity | 0.7053 | NPC298115 |
Intermediate Similarity | 0.7048 | NPC469511 |
Intermediate Similarity | 0.7045 | NPC3190 |
Intermediate Similarity | 0.7045 | NPC249018 |
Intermediate Similarity | 0.7045 | NPC179726 |
Intermediate Similarity | 0.7041 | NPC289769 |
Intermediate Similarity | 0.7033 | NPC103387 |
Intermediate Similarity | 0.7033 | NPC230068 |
Intermediate Similarity | 0.7033 | NPC14326 |
Intermediate Similarity | 0.7033 | NPC323103 |
Intermediate Similarity | 0.7024 | NPC235059 |
Intermediate Similarity | 0.7024 | NPC169222 |
Intermediate Similarity | 0.7024 | NPC16190 |
Intermediate Similarity | 0.7021 | NPC286608 |
Intermediate Similarity | 0.7021 | NPC194326 |
Intermediate Similarity | 0.7021 | NPC169050 |
Intermediate Similarity | 0.7019 | NPC94751 |
Intermediate Similarity | 0.7019 | NPC85560 |
Intermediate Similarity | 0.7019 | NPC142326 |
Intermediate Similarity | 0.7019 | NPC244933 |
Intermediate Similarity | 0.701 | NPC323420 |
Intermediate Similarity | 0.701 | NPC188844 |
Intermediate Similarity | 0.701 | NPC77273 |
Intermediate Similarity | 0.701 | NPC155232 |
Intermediate Similarity | 0.701 | NPC1682 |
Intermediate Similarity | 0.701 | NPC153885 |
Intermediate Similarity | 0.7009 | NPC66208 |
Intermediate Similarity | 0.7 | NPC75724 |
Intermediate Similarity | 0.7 | NPC121800 |
Intermediate Similarity | 0.7 | NPC470820 |
Intermediate Similarity | 0.7 | NPC476120 |
Intermediate Similarity | 0.7 | NPC134882 |
Intermediate Similarity | 0.7 | NPC135924 |
Intermediate Similarity | 0.7 | NPC328178 |
Intermediate Similarity | 0.7 | NPC105141 |
Intermediate Similarity | 0.7 | NPC242764 |
Remote Similarity | 0.699 | NPC329282 |
Remote Similarity | 0.6989 | NPC3210 |
Remote Similarity | 0.6989 | NPC474354 |
Remote Similarity | 0.6989 | NPC99482 |
Remote Similarity | 0.6988 | NPC6107 |
Remote Similarity | 0.6981 | NPC471954 |
Remote Similarity | 0.6981 | NPC75272 |
Remote Similarity | 0.6979 | NPC84288 |
Remote Similarity | 0.6977 | NPC54269 |
Remote Similarity | 0.697 | NPC185208 |
Remote Similarity | 0.697 | NPC219573 |
Remote Similarity | 0.6966 | NPC137847 |
Remote Similarity | 0.6966 | NPC103488 |
Remote Similarity | 0.6966 | NPC76455 |
Remote Similarity | 0.6962 | NPC64270 |
Remote Similarity | 0.6961 | NPC25458 |
Remote Similarity | 0.6957 | NPC270507 |
Remote Similarity | 0.6957 | NPC285773 |
Remote Similarity | 0.6951 | NPC198023 |
Remote Similarity | 0.6951 | NPC155172 |
Remote Similarity | 0.6944 | NPC93287 |
Remote Similarity | 0.6939 | NPC238219 |
Remote Similarity | 0.6931 | NPC228435 |
Remote Similarity | 0.6931 | NPC54647 |
Remote Similarity | 0.6923 | NPC105899 |
Remote Similarity | 0.6916 | NPC323007 |
Remote Similarity | 0.6915 | NPC160339 |
Remote Similarity | 0.6915 | NPC307 |
Remote Similarity | 0.6907 | NPC133461 |
Remote Similarity | 0.6907 | NPC125226 |
Remote Similarity | 0.6907 | NPC79917 |
Remote Similarity | 0.6907 | NPC220596 |
Remote Similarity | 0.69 | NPC477767 |
Remote Similarity | 0.69 | NPC240042 |
Remote Similarity | 0.69 | NPC253423 |
Remote Similarity | 0.69 | NPC265220 |
Remote Similarity | 0.6893 | NPC255676 |
Remote Similarity | 0.6893 | NPC19856 |
Remote Similarity | 0.6889 | NPC139901 |
Remote Similarity | 0.6889 | NPC300205 |
Remote Similarity | 0.6889 | NPC272260 |
Remote Similarity | 0.6889 | NPC151405 |
Remote Similarity | 0.6889 | NPC159661 |
Remote Similarity | 0.6887 | NPC182549 |
Remote Similarity | 0.6887 | NPC318327 |
Remote Similarity | 0.6887 | NPC475006 |
Remote Similarity | 0.6887 | NPC469636 |
Remote Similarity | 0.6887 | NPC114741 |
Remote Similarity | 0.6882 | NPC168855 |
Remote Similarity | 0.6882 | NPC95429 |
Remote Similarity | 0.6882 | NPC304538 |
Remote Similarity | 0.6881 | NPC294458 |
Remote Similarity | 0.6881 | NPC471721 |
Remote Similarity | 0.6875 | NPC1793 |
Remote Similarity | 0.6875 | NPC173443 |
Remote Similarity | 0.6869 | NPC81010 |
Remote Similarity | 0.6869 | NPC260233 |
Remote Similarity | 0.6869 | NPC32977 |
Remote Similarity | 0.6869 | NPC473347 |
Molecular Weight   | 340.24 |
ALogP   | 5.0621 |
MLogP   | 3.77 |
XLogP   | 9.758 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 15 |
TPSA   | 37.3 |
RO5 Violation   | 1 |