Drug ID:   | NPD473 |
Drug Name:   | |
Molecular Formula:   | C11H12ClFN2 |
Canonical SMILES:   | C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N |
Standard InCHI:   | InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1 |
Standard InCHIKey:   | XJJZQXUGLLXTHO-ZETCQYMHSA-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 | 0.8824 | NPC476464 |
Intermediate Similarity | 0.8354 | NPC477591 |
Intermediate Similarity | 0.8212 | NPC73767 |
Intermediate Similarity | 0.8212 | NPC110126 |
Intermediate Similarity | 0.82 | NPC84911 |
Intermediate Similarity | 0.8133 | NPC29886 |
Intermediate Similarity | 0.8133 | NPC96102 |
Intermediate Similarity | 0.8133 | NPC261195 |
Intermediate Similarity | 0.8108 | NPC82295 |
Intermediate Similarity | 0.8092 | NPC32002 |
Intermediate Similarity | 0.8092 | NPC315348 |
Intermediate Similarity | 0.8079 | NPC105127 |
Intermediate Similarity | 0.8039 | NPC469767 |
Intermediate Similarity | 0.8039 | NPC469779 |
Intermediate Similarity | 0.8039 | NPC469768 |
Intermediate Similarity | 0.8039 | NPC469783 |
Intermediate Similarity | 0.8039 | NPC469761 |
Intermediate Similarity | 0.8039 | NPC469780 |
Intermediate Similarity | 0.8039 | NPC469784 |
Intermediate Similarity | 0.7987 | NPC469766 |
Intermediate Similarity | 0.7987 | NPC476454 |
Intermediate Similarity | 0.7961 | NPC150259 |
Intermediate Similarity | 0.7935 | NPC190296 |
Intermediate Similarity | 0.7922 | NPC279081 |
Intermediate Similarity | 0.7911 | NPC321911 |
Intermediate Similarity | 0.7882 | NPC314919 |
Intermediate Similarity | 0.7848 | NPC201380 |
Intermediate Similarity | 0.7848 | NPC469811 |
Intermediate Similarity | 0.7848 | NPC179787 |
Intermediate Similarity | 0.7834 | NPC314372 |
Intermediate Similarity | 0.7806 | NPC230002 |
Intermediate Similarity | 0.7785 | NPC63545 |
Intermediate Similarity | 0.7778 | NPC325252 |
Intermediate Similarity | 0.775 | NPC40070 |
Intermediate Similarity | 0.7736 | NPC471957 |
Intermediate Similarity | 0.7722 | NPC159856 |
Intermediate Similarity | 0.7712 | NPC198988 |
Intermediate Similarity | 0.7702 | NPC470233 |
Intermediate Similarity | 0.7688 | NPC83381 |
Intermediate Similarity | 0.7687 | NPC46358 |
Intermediate Similarity | 0.7673 | NPC143872 |
Intermediate Similarity | 0.7673 | NPC288838 |
Intermediate Similarity | 0.7662 | NPC218268 |
Intermediate Similarity | 0.7654 | NPC200214 |
Intermediate Similarity | 0.7654 | NPC325903 |
Intermediate Similarity | 0.764 | NPC315617 |
Intermediate Similarity | 0.764 | NPC316359 |
Intermediate Similarity | 0.764 | NPC105818 |
Intermediate Similarity | 0.764 | NPC314058 |
Intermediate Similarity | 0.764 | NPC53947 |
Intermediate Similarity | 0.764 | NPC316018 |
Intermediate Similarity | 0.764 | NPC24678 |
Intermediate Similarity | 0.7635 | NPC27740 |
Intermediate Similarity | 0.7607 | NPC34844 |
Intermediate Similarity | 0.7593 | NPC470823 |
Intermediate Similarity | 0.7576 | NPC56765 |
Intermediate Similarity | 0.7576 | NPC318065 |
Intermediate Similarity | 0.7576 | NPC206819 |
Intermediate Similarity | 0.7551 | NPC265605 |
Intermediate Similarity | 0.7551 | NPC182570 |
Intermediate Similarity | 0.7551 | NPC48564 |
Intermediate Similarity | 0.7546 | NPC141926 |
Intermediate Similarity | 0.7546 | NPC25008 |
Intermediate Similarity | 0.7546 | NPC469786 |
Intermediate Similarity | 0.7546 | NPC469765 |
Intermediate Similarity | 0.7546 | NPC73952 |
Intermediate Similarity | 0.7546 | NPC469760 |
Intermediate Similarity | 0.7546 | NPC259644 |
Intermediate Similarity | 0.7546 | NPC469763 |
Intermediate Similarity | 0.7516 | NPC88097 |
Intermediate Similarity | 0.7516 | NPC470111 |
Intermediate Similarity | 0.7515 | NPC236711 |
Intermediate Similarity | 0.75 | NPC75540 |
Intermediate Similarity | 0.75 | NPC251722 |
Intermediate Similarity | 0.75 | NPC211572 |
Intermediate Similarity | 0.75 | NPC314102 |
Intermediate Similarity | 0.75 | NPC212376 |
Intermediate Similarity | 0.75 | NPC80597 |
Intermediate Similarity | 0.75 | NPC70922 |
Intermediate Similarity | 0.75 | NPC41174 |
Intermediate Similarity | 0.7485 | NPC216713 |
Intermediate Similarity | 0.7484 | NPC20144 |
Intermediate Similarity | 0.747 | NPC41257 |
Intermediate Similarity | 0.7453 | NPC316069 |
Intermediate Similarity | 0.7451 | NPC22079 |
Intermediate Similarity | 0.7425 | NPC470204 |
Intermediate Similarity | 0.7425 | NPC122141 |
Intermediate Similarity | 0.741 | NPC286427 |
Intermediate Similarity | 0.7391 | NPC285731 |
Intermediate Similarity | 0.7389 | NPC125746 |
Intermediate Similarity | 0.7381 | NPC478185 |
Intermediate Similarity | 0.7381 | NPC470203 |
Intermediate Similarity | 0.7381 | NPC282231 |
Intermediate Similarity | 0.7358 | NPC115611 |
Intermediate Similarity | 0.7349 | NPC469785 |
Intermediate Similarity | 0.7349 | NPC115049 |
Intermediate Similarity | 0.7338 | NPC282398 |
Intermediate Similarity | 0.7337 | NPC317105 |
Intermediate Similarity | 0.7337 | NPC478184 |
Intermediate Similarity | 0.7337 | NPC90723 |
Intermediate Similarity | 0.7321 | NPC279918 |
Intermediate Similarity | 0.7312 | NPC63157 |
Intermediate Similarity | 0.7312 | NPC473868 |
Intermediate Similarity | 0.7305 | NPC469762 |
Intermediate Similarity | 0.7305 | NPC216643 |
Intermediate Similarity | 0.7289 | NPC476219 |
Intermediate Similarity | 0.7289 | NPC476297 |
Intermediate Similarity | 0.7284 | NPC204141 |
Intermediate Similarity | 0.7284 | NPC470440 |
Intermediate Similarity | 0.7278 | NPC225018 |
Intermediate Similarity | 0.7267 | NPC194411 |
Intermediate Similarity | 0.7262 | NPC135141 |
Intermediate Similarity | 0.7262 | NPC293487 |
Intermediate Similarity | 0.7262 | NPC92796 |
Intermediate Similarity | 0.7251 | NPC160105 |
Intermediate Similarity | 0.7251 | NPC474561 |
Intermediate Similarity | 0.7251 | NPC49954 |
Intermediate Similarity | 0.7251 | NPC49217 |
Intermediate Similarity | 0.725 | NPC2949 |
Intermediate Similarity | 0.725 | NPC59084 |
Intermediate Similarity | 0.7246 | NPC51054 |
Intermediate Similarity | 0.7237 | NPC166424 |
Intermediate Similarity | 0.7237 | NPC146373 |
Intermediate Similarity | 0.7237 | NPC245244 |
Intermediate Similarity | 0.7235 | NPC311276 |
Intermediate Similarity | 0.7235 | NPC478182 |
Intermediate Similarity | 0.7235 | NPC149265 |
Intermediate Similarity | 0.7225 | NPC82331 |
Intermediate Similarity | 0.7219 | NPC215584 |
Intermediate Similarity | 0.7219 | NPC44773 |
Intermediate Similarity | 0.7219 | NPC131718 |
Intermediate Similarity | 0.7216 | NPC11126 |
Intermediate Similarity | 0.72 | NPC280852 |
Intermediate Similarity | 0.72 | NPC474958 |
Intermediate Similarity | 0.7193 | NPC274229 |
Intermediate Similarity | 0.719 | NPC250361 |
Intermediate Similarity | 0.7188 | NPC104483 |
Intermediate Similarity | 0.7161 | NPC473587 |
Intermediate Similarity | 0.716 | NPC230869 |
Intermediate Similarity | 0.7159 | NPC240088 |
Intermediate Similarity | 0.7159 | NPC473380 |
Intermediate Similarity | 0.7151 | NPC54988 |
Intermediate Similarity | 0.7143 | NPC37423 |
Intermediate Similarity | 0.7143 | NPC275305 |
Intermediate Similarity | 0.7135 | NPC40779 |
Intermediate Similarity | 0.7125 | NPC169433 |
Intermediate Similarity | 0.7119 | NPC265710 |
Intermediate Similarity | 0.7115 | NPC475428 |
Intermediate Similarity | 0.7114 | NPC91958 |
Intermediate Similarity | 0.711 | NPC63751 |
Intermediate Similarity | 0.7101 | NPC129721 |
Intermediate Similarity | 0.7097 | NPC473762 |
Intermediate Similarity | 0.7095 | NPC148140 |
Intermediate Similarity | 0.7093 | NPC17751 |
Intermediate Similarity | 0.7093 | NPC280864 |
Intermediate Similarity | 0.7091 | NPC21605 |
Intermediate Similarity | 0.7086 | NPC314603 |
Intermediate Similarity | 0.7079 | NPC16659 |
Intermediate Similarity | 0.707 | NPC475450 |
Intermediate Similarity | 0.707 | NPC179365 |
Intermediate Similarity | 0.7069 | NPC116961 |
Intermediate Similarity | 0.7069 | NPC91895 |
Intermediate Similarity | 0.7069 | NPC97343 |
Intermediate Similarity | 0.7063 | NPC471312 |
Intermediate Similarity | 0.7062 | NPC14113 |
Intermediate Similarity | 0.7062 | NPC68354 |
Intermediate Similarity | 0.7062 | NPC84827 |
Intermediate Similarity | 0.7062 | NPC145885 |
Intermediate Similarity | 0.7059 | NPC474880 |
Intermediate Similarity | 0.7059 | NPC221786 |
Intermediate Similarity | 0.7059 | NPC475990 |
Intermediate Similarity | 0.7056 | NPC228835 |
Intermediate Similarity | 0.7052 | NPC478183 |
Intermediate Similarity | 0.7052 | NPC56233 |
Intermediate Similarity | 0.7047 | NPC81561 |
Intermediate Similarity | 0.7047 | NPC240136 |
Intermediate Similarity | 0.7047 | NPC471402 |
Intermediate Similarity | 0.7047 | NPC297486 |
Intermediate Similarity | 0.7045 | NPC469938 |
Intermediate Similarity | 0.7035 | NPC102423 |
Intermediate Similarity | 0.7035 | NPC194640 |
Intermediate Similarity | 0.7029 | NPC470498 |
Intermediate Similarity | 0.7022 | NPC176199 |
Intermediate Similarity | 0.7022 | NPC215795 |
Intermediate Similarity | 0.7011 | NPC201700 |
Intermediate Similarity | 0.7006 | NPC267885 |
Intermediate Similarity | 0.7006 | NPC33421 |
Intermediate Similarity | 0.7 | NPC143603 |
Remote Similarity | 0.6987 | NPC89490 |
Remote Similarity | 0.6978 | NPC94752 |
Remote Similarity | 0.6971 | NPC32534 |
Remote Similarity | 0.6949 | NPC203468 |
Remote Similarity | 0.6949 | NPC471579 |
Remote Similarity | 0.6949 | NPC149155 |
Remote Similarity | 0.6949 | NPC317054 |
Remote Similarity | 0.6949 | NPC110500 |
Remote Similarity | 0.6948 | NPC476322 |
Remote Similarity | 0.6946 | NPC2272 |
Remote Similarity | 0.6944 | NPC233936 |
Remote Similarity | 0.6944 | NPC470677 |
Molecular Weight   | 226.07 |
ALogP   | 0.4998 |
MLogP   | 2.23 |
XLogP   | 2.217 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 6 |
TPSA   | 30.95 |
RO5 Violation   | 0 |