Drug ID:   | NPD802 |
Drug Name:   | Psilocybine |
Molecular Formula:   | C12H17N2O4P |
Canonical SMILES:   | CN(CCc1c[nH]c2c1c(ccc2)OP(=O)(O)O)C |
Standard InCHI:   | InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17) |
Standard InCHIKey:   | QVDSEJDULKLHCG-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 2 |
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 | NPC106937 |
High Similarity | 0.8933 | NPC46580 |
High Similarity | 0.8696 | NPC242209 |
High Similarity | 0.8696 | NPC13880 |
High Similarity | 0.8667 | NPC171171 |
High Similarity | 0.8611 | NPC314002 |
High Similarity | 0.8588 | NPC96890 |
High Similarity | 0.8556 | NPC204717 |
High Similarity | 0.85 | NPC220765 |
Intermediate Similarity | 0.8387 | NPC307963 |
Intermediate Similarity | 0.8378 | NPC92111 |
Intermediate Similarity | 0.8333 | NPC42979 |
Intermediate Similarity | 0.8333 | NPC99666 |
Intermediate Similarity | 0.8324 | NPC224764 |
Intermediate Similarity | 0.8324 | NPC76748 |
Intermediate Similarity | 0.8316 | NPC121772 |
Intermediate Similarity | 0.8315 | NPC474409 |
Intermediate Similarity | 0.8278 | NPC184964 |
Intermediate Similarity | 0.8276 | NPC131718 |
Intermediate Similarity | 0.827 | NPC296527 |
Intermediate Similarity | 0.8254 | NPC156704 |
Intermediate Similarity | 0.8245 | NPC326634 |
Intermediate Similarity | 0.8232 | NPC72980 |
Intermediate Similarity | 0.8201 | NPC251090 |
Intermediate Similarity | 0.81 | NPC170114 |
Intermediate Similarity | 0.8083 | NPC232727 |
Intermediate Similarity | 0.8079 | NPC102423 |
Intermediate Similarity | 0.8075 | NPC32771 |
Intermediate Similarity | 0.8063 | NPC77555 |
Intermediate Similarity | 0.8051 | NPC285558 |
Intermediate Similarity | 0.805 | NPC470549 |
Intermediate Similarity | 0.804 | NPC316981 |
Intermediate Similarity | 0.804 | NPC128084 |
Intermediate Similarity | 0.803 | NPC11464 |
Intermediate Similarity | 0.8011 | NPC230869 |
Intermediate Similarity | 0.8011 | NPC313791 |
Intermediate Similarity | 0.8011 | NPC94943 |
Intermediate Similarity | 0.8 | NPC212535 |
Intermediate Similarity | 0.7959 | NPC475070 |
Intermediate Similarity | 0.7957 | NPC190007 |
Intermediate Similarity | 0.7957 | NPC84478 |
Intermediate Similarity | 0.7938 | NPC213308 |
Intermediate Similarity | 0.7938 | NPC315491 |
Intermediate Similarity | 0.7938 | NPC45459 |
Intermediate Similarity | 0.7902 | NPC310118 |
Intermediate Similarity | 0.7889 | NPC80596 |
Intermediate Similarity | 0.7889 | NPC160105 |
Intermediate Similarity | 0.7886 | NPC469760 |
Intermediate Similarity | 0.7886 | NPC469786 |
Intermediate Similarity | 0.7886 | NPC469765 |
Intermediate Similarity | 0.7886 | NPC25008 |
Intermediate Similarity | 0.7886 | NPC259644 |
Intermediate Similarity | 0.7886 | NPC73952 |
Intermediate Similarity | 0.7886 | NPC469763 |
Intermediate Similarity | 0.7877 | NPC311276 |
Intermediate Similarity | 0.7853 | NPC324149 |
Intermediate Similarity | 0.7846 | NPC176538 |
Intermediate Similarity | 0.7841 | NPC75540 |
Intermediate Similarity | 0.7841 | NPC70922 |
Intermediate Similarity | 0.7841 | NPC211572 |
Intermediate Similarity | 0.7841 | NPC212376 |
Intermediate Similarity | 0.7841 | NPC80597 |
Intermediate Similarity | 0.7821 | NPC282231 |
Intermediate Similarity | 0.7817 | NPC200836 |
Intermediate Similarity | 0.7814 | NPC314603 |
Intermediate Similarity | 0.7799 | NPC110151 |
Intermediate Similarity | 0.779 | NPC474561 |
Intermediate Similarity | 0.779 | NPC49954 |
Intermediate Similarity | 0.7789 | NPC88008 |
Intermediate Similarity | 0.7789 | NPC183777 |
Intermediate Similarity | 0.7784 | NPC153042 |
Intermediate Similarity | 0.7771 | NPC105818 |
Intermediate Similarity | 0.7771 | NPC24678 |
Intermediate Similarity | 0.7765 | NPC279918 |
Intermediate Similarity | 0.7761 | NPC167860 |
Intermediate Similarity | 0.7761 | NPC123976 |
Intermediate Similarity | 0.7761 | NPC5145 |
Intermediate Similarity | 0.7756 | NPC264285 |
Intermediate Similarity | 0.7755 | NPC19872 |
Intermediate Similarity | 0.7753 | NPC469762 |
Intermediate Similarity | 0.7746 | NPC314372 |
Intermediate Similarity | 0.7746 | NPC159856 |
Intermediate Similarity | 0.7734 | NPC266931 |
Intermediate Similarity | 0.7733 | NPC190296 |
Intermediate Similarity | 0.7718 | NPC213530 |
Intermediate Similarity | 0.7718 | NPC193267 |
Intermediate Similarity | 0.7713 | NPC176127 |
Intermediate Similarity | 0.7704 | NPC476167 |
Intermediate Similarity | 0.7697 | NPC469785 |
Intermediate Similarity | 0.7692 | NPC243834 |
Intermediate Similarity | 0.7692 | NPC70956 |
Intermediate Similarity | 0.7692 | NPC16352 |
Intermediate Similarity | 0.768 | NPC131017 |
Intermediate Similarity | 0.7665 | NPC329747 |
Intermediate Similarity | 0.7665 | NPC249040 |
Intermediate Similarity | 0.7665 | NPC315957 |
Intermediate Similarity | 0.7662 | NPC476465 |
Intermediate Similarity | 0.7661 | NPC73767 |
Intermediate Similarity | 0.7653 | NPC192315 |
Intermediate Similarity | 0.7653 | NPC306376 |
Intermediate Similarity | 0.765 | NPC63751 |
Intermediate Similarity | 0.7647 | NPC88363 |
Intermediate Similarity | 0.7644 | NPC60621 |
Intermediate Similarity | 0.7641 | NPC222018 |
Intermediate Similarity | 0.7635 | NPC246518 |
Intermediate Similarity | 0.7632 | NPC188387 |
Intermediate Similarity | 0.7632 | NPC163421 |
Intermediate Similarity | 0.7624 | NPC174672 |
Intermediate Similarity | 0.7619 | NPC469358 |
Intermediate Similarity | 0.7604 | NPC128751 |
Intermediate Similarity | 0.7604 | NPC246700 |
Intermediate Similarity | 0.7596 | NPC54988 |
Intermediate Similarity | 0.7594 | NPC111275 |
Intermediate Similarity | 0.7582 | NPC194640 |
Intermediate Similarity | 0.7582 | NPC40779 |
Intermediate Similarity | 0.7574 | NPC475910 |
Intermediate Similarity | 0.7573 | NPC142901 |
Intermediate Similarity | 0.7573 | NPC148183 |
Intermediate Similarity | 0.7573 | NPC152768 |
Intermediate Similarity | 0.7566 | NPC71037 |
Intermediate Similarity | 0.7565 | NPC106833 |
Intermediate Similarity | 0.7565 | NPC95783 |
Intermediate Similarity | 0.7565 | NPC469497 |
Intermediate Similarity | 0.7563 | NPC72211 |
Intermediate Similarity | 0.7561 | NPC477610 |
Intermediate Similarity | 0.7558 | NPC110126 |
Intermediate Similarity | 0.7551 | NPC70259 |
Intermediate Similarity | 0.755 | NPC53144 |
Intermediate Similarity | 0.7549 | NPC208284 |
Intermediate Similarity | 0.7544 | NPC84911 |
Intermediate Similarity | 0.7541 | NPC471178 |
Intermediate Similarity | 0.7536 | NPC476041 |
Intermediate Similarity | 0.7536 | NPC304926 |
Intermediate Similarity | 0.7514 | NPC469780 |
Intermediate Similarity | 0.7514 | NPC469767 |
Intermediate Similarity | 0.7514 | NPC469761 |
Intermediate Similarity | 0.7514 | NPC469783 |
Intermediate Similarity | 0.7514 | NPC469784 |
Intermediate Similarity | 0.7514 | NPC469768 |
Intermediate Similarity | 0.7514 | NPC469779 |
Intermediate Similarity | 0.7512 | NPC470500 |
Intermediate Similarity | 0.7512 | NPC219087 |
Intermediate Similarity | 0.75 | NPC24370 |
Intermediate Similarity | 0.75 | NPC205934 |
Intermediate Similarity | 0.75 | NPC43787 |
Intermediate Similarity | 0.75 | NPC141353 |
Intermediate Similarity | 0.75 | NPC248454 |
Intermediate Similarity | 0.75 | NPC477609 |
Intermediate Similarity | 0.75 | NPC84827 |
Intermediate Similarity | 0.75 | NPC14113 |
Intermediate Similarity | 0.75 | NPC475112 |
Intermediate Similarity | 0.75 | NPC475085 |
Intermediate Similarity | 0.75 | NPC145885 |
Intermediate Similarity | 0.75 | NPC291535 |
Intermediate Similarity | 0.75 | NPC276517 |
Intermediate Similarity | 0.75 | NPC319232 |
Intermediate Similarity | 0.7488 | NPC171787 |
Intermediate Similarity | 0.7488 | NPC183407 |
Intermediate Similarity | 0.7485 | NPC96102 |
Intermediate Similarity | 0.7485 | NPC29886 |
Intermediate Similarity | 0.7485 | NPC261195 |
Intermediate Similarity | 0.7476 | NPC471080 |
Intermediate Similarity | 0.7476 | NPC469592 |
Intermediate Similarity | 0.7474 | NPC233936 |
Intermediate Similarity | 0.7471 | NPC469766 |
Intermediate Similarity | 0.7463 | NPC245816 |
Intermediate Similarity | 0.7463 | NPC476138 |
Intermediate Similarity | 0.7463 | NPC162484 |
Intermediate Similarity | 0.7459 | NPC78020 |
Intermediate Similarity | 0.7458 | NPC471957 |
Intermediate Similarity | 0.7451 | NPC185782 |
Intermediate Similarity | 0.7448 | NPC15102 |
Intermediate Similarity | 0.7447 | NPC267885 |
Intermediate Similarity | 0.7443 | NPC477861 |
Intermediate Similarity | 0.7442 | NPC105127 |
Intermediate Similarity | 0.7438 | NPC193777 |
Intermediate Similarity | 0.7435 | NPC48938 |
Intermediate Similarity | 0.7427 | NPC26679 |
Intermediate Similarity | 0.7419 | NPC256828 |
Intermediate Similarity | 0.7418 | NPC92796 |
Intermediate Similarity | 0.7418 | NPC135141 |
Intermediate Similarity | 0.7416 | NPC469594 |
Intermediate Similarity | 0.7409 | NPC315555 |
Intermediate Similarity | 0.7409 | NPC235684 |
Intermediate Similarity | 0.7407 | NPC59269 |
Intermediate Similarity | 0.7406 | NPC122436 |
Intermediate Similarity | 0.74 | NPC470497 |
Intermediate Similarity | 0.74 | NPC329793 |
Intermediate Similarity | 0.7396 | NPC284678 |
Intermediate Similarity | 0.7395 | NPC326363 |
Intermediate Similarity | 0.7394 | NPC110500 |
Intermediate Similarity | 0.7394 | NPC149155 |
Intermediate Similarity | 0.7394 | NPC203468 |
Intermediate Similarity | 0.7393 | NPC473317 |
Intermediate Similarity | 0.7391 | NPC476118 |
Intermediate Similarity | 0.7389 | NPC200214 |
Intermediate Similarity | 0.7387 | NPC470499 |
Intermediate Similarity | 0.7381 | NPC74360 |
Intermediate Similarity | 0.738 | NPC470498 |
Intermediate Similarity | 0.7376 | NPC476098 |
Molecular Weight   | 284.09 |
ALogP   | -0.3315 |
MLogP   | 2.01 |
XLogP   | -0.053 |
HDA   | 5 |
HBD   | 3 |
Rotatable Bonds   | 9 |
TPSA   | 95.6 |
RO5 Violation   | 0 |