Drug ID:   | NPD3079 |
Drug Name:   | granisetron |
Molecular Formula:   | C18H24N4O |
Canonical SMILES:   | CN1[C@@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(c2c1cccc2)C |
Standard InCHI:   | InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12?,13-,14+ |
Standard InCHIKey:   | MFWNKCLOYSRHCJ-AGUYFDCRSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; IUPHAR/BPS |
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 |
---|---|---|
Intermediate Similarity | 0.7944 | NPC133003 |
Intermediate Similarity | 0.7841 | NPC161861 |
Intermediate Similarity | 0.7833 | NPC470205 |
Intermediate Similarity | 0.7802 | NPC135601 |
Intermediate Similarity | 0.7802 | NPC17273 |
Intermediate Similarity | 0.7802 | NPC141612 |
Intermediate Similarity | 0.7701 | NPC21174 |
Intermediate Similarity | 0.7701 | NPC271797 |
Intermediate Similarity | 0.7674 | NPC477887 |
Intermediate Similarity | 0.7644 | NPC194881 |
Intermediate Similarity | 0.7581 | NPC324091 |
Intermediate Similarity | 0.75 | NPC21429 |
Intermediate Similarity | 0.7456 | NPC470440 |
Intermediate Similarity | 0.7405 | NPC477003 |
Intermediate Similarity | 0.7366 | NPC308931 |
Intermediate Similarity | 0.7366 | NPC99939 |
Intermediate Similarity | 0.7348 | NPC252572 |
Intermediate Similarity | 0.7316 | NPC272458 |
Intermediate Similarity | 0.7296 | NPC317701 |
Intermediate Similarity | 0.7283 | NPC11126 |
Intermediate Similarity | 0.7254 | NPC167710 |
Intermediate Similarity | 0.7249 | NPC103119 |
Intermediate Similarity | 0.7228 | NPC157583 |
Intermediate Similarity | 0.7225 | NPC216550 |
Intermediate Similarity | 0.7222 | NPC56233 |
Intermediate Similarity | 0.7219 | NPC228835 |
Intermediate Similarity | 0.7219 | NPC467063 |
Intermediate Similarity | 0.7204 | NPC191415 |
Intermediate Similarity | 0.7174 | NPC151635 |
Intermediate Similarity | 0.716 | NPC88097 |
Intermediate Similarity | 0.7151 | NPC91179 |
Intermediate Similarity | 0.7143 | NPC471943 |
Intermediate Similarity | 0.7143 | NPC117032 |
Intermediate Similarity | 0.7128 | NPC34837 |
Intermediate Similarity | 0.712 | NPC471579 |
Intermediate Similarity | 0.7113 | NPC102592 |
Intermediate Similarity | 0.7113 | NPC79356 |
Intermediate Similarity | 0.7108 | NPC162417 |
Intermediate Similarity | 0.7108 | NPC316104 |
Intermediate Similarity | 0.7098 | NPC326422 |
Intermediate Similarity | 0.7083 | NPC476460 |
Intermediate Similarity | 0.7074 | NPC102755 |
Intermediate Similarity | 0.7062 | NPC476219 |
Intermediate Similarity | 0.7053 | NPC94752 |
Intermediate Similarity | 0.7033 | NPC114637 |
Intermediate Similarity | 0.7026 | NPC245916 |
Intermediate Similarity | 0.7026 | NPC472116 |
Intermediate Similarity | 0.7018 | NPC238499 |
Intermediate Similarity | 0.7017 | NPC478184 |
Intermediate Similarity | 0.7017 | NPC478182 |
Intermediate Similarity | 0.7016 | NPC17059 |
Intermediate Similarity | 0.7006 | NPC281094 |
Remote Similarity | 0.699 | NPC134657 |
Remote Similarity | 0.6982 | NPC325252 |
Remote Similarity | 0.6979 | NPC63199 |
Remote Similarity | 0.6979 | NPC102338 |
Remote Similarity | 0.6979 | NPC196251 |
Remote Similarity | 0.6979 | NPC111602 |
Remote Similarity | 0.6979 | NPC255909 |
Remote Similarity | 0.6971 | NPC21605 |
Remote Similarity | 0.6968 | NPC88110 |
Remote Similarity | 0.6963 | NPC478077 |
Remote Similarity | 0.6959 | NPC472113 |
Remote Similarity | 0.6952 | NPC14325 |
Remote Similarity | 0.6952 | NPC237188 |
Remote Similarity | 0.6952 | NPC28848 |
Remote Similarity | 0.6952 | NPC284775 |
Remote Similarity | 0.6944 | NPC474880 |
Remote Similarity | 0.6944 | NPC475990 |
Remote Similarity | 0.6944 | NPC221786 |
Remote Similarity | 0.6943 | NPC472112 |
Remote Similarity | 0.6941 | NPC65408 |
Remote Similarity | 0.6936 | NPC136002 |
Remote Similarity | 0.6936 | NPC20144 |
Remote Similarity | 0.6935 | NPC469529 |
Remote Similarity | 0.6927 | NPC6865 |
Remote Similarity | 0.6927 | NPC153980 |
Remote Similarity | 0.6923 | NPC198988 |
Remote Similarity | 0.6923 | NPC269886 |
Remote Similarity | 0.6923 | NPC247735 |
Remote Similarity | 0.6923 | NPC472295 |
Remote Similarity | 0.6923 | NPC81802 |
Remote Similarity | 0.6923 | NPC472210 |
Remote Similarity | 0.6919 | NPC477004 |
Remote Similarity | 0.6914 | NPC478186 |
Remote Similarity | 0.6895 | NPC143533 |
Remote Similarity | 0.6891 | NPC175474 |
Remote Similarity | 0.6891 | NPC473666 |
Remote Similarity | 0.6885 | NPC42372 |
Remote Similarity | 0.6885 | NPC115232 |
Remote Similarity | 0.6879 | NPC473868 |
Remote Similarity | 0.6879 | NPC63157 |
Remote Similarity | 0.6878 | NPC469896 |
Remote Similarity | 0.6878 | NPC15840 |
Remote Similarity | 0.6878 | NPC16659 |
Remote Similarity | 0.6878 | NPC72956 |
Remote Similarity | 0.6875 | NPC66210 |
Remote Similarity | 0.6872 | NPC471386 |
Remote Similarity | 0.6862 | NPC234987 |
Remote Similarity | 0.6859 | NPC258480 |
Remote Similarity | 0.6859 | NPC472119 |
Remote Similarity | 0.6851 | NPC293487 |
Remote Similarity | 0.685 | NPC471944 |
Remote Similarity | 0.6845 | NPC293216 |
Remote Similarity | 0.6845 | NPC471193 |
Remote Similarity | 0.6845 | NPC471194 |
Remote Similarity | 0.6837 | NPC304203 |
Remote Similarity | 0.6834 | NPC268744 |
Remote Similarity | 0.6834 | NPC153123 |
Remote Similarity | 0.6834 | NPC220797 |
Remote Similarity | 0.6834 | NPC475914 |
Remote Similarity | 0.6834 | NPC474318 |
Remote Similarity | 0.6834 | NPC201266 |
Remote Similarity | 0.6825 | NPC219336 |
Remote Similarity | 0.6825 | NPC265710 |
Remote Similarity | 0.6821 | NPC473763 |
Remote Similarity | 0.6821 | NPC117244 |
Remote Similarity | 0.6821 | NPC59084 |
Remote Similarity | 0.6813 | NPC229173 |
Remote Similarity | 0.6806 | NPC159125 |
Remote Similarity | 0.6804 | NPC213629 |
Remote Similarity | 0.6802 | NPC294693 |
Remote Similarity | 0.68 | NPC13456 |
Remote Similarity | 0.68 | NPC269203 |
Remote Similarity | 0.68 | NPC77241 |
Remote Similarity | 0.68 | NPC166209 |
Remote Similarity | 0.6798 | NPC472064 |
Remote Similarity | 0.6798 | NPC40070 |
Remote Similarity | 0.6798 | NPC471191 |
Remote Similarity | 0.6789 | NPC73994 |
Remote Similarity | 0.6786 | NPC472292 |
Remote Similarity | 0.6778 | NPC476297 |
Remote Similarity | 0.6772 | NPC240088 |
Remote Similarity | 0.6772 | NPC15573 |
Remote Similarity | 0.6772 | NPC183662 |
Remote Similarity | 0.6772 | NPC217372 |
Remote Similarity | 0.6772 | NPC473380 |
Remote Similarity | 0.6771 | NPC470003 |
Remote Similarity | 0.6768 | NPC128244 |
Remote Similarity | 0.6763 | NPC471574 |
Remote Similarity | 0.6761 | NPC204141 |
Remote Similarity | 0.6761 | NPC476817 |
Remote Similarity | 0.676 | NPC472260 |
Remote Similarity | 0.6757 | NPC478183 |
Remote Similarity | 0.6754 | NPC113626 |
Remote Similarity | 0.675 | NPC192674 |
Remote Similarity | 0.675 | NPC237414 |
Remote Similarity | 0.6749 | NPC88115 |
Remote Similarity | 0.6746 | NPC322064 |
Remote Similarity | 0.6746 | NPC471192 |
Remote Similarity | 0.6736 | NPC79062 |
Remote Similarity | 0.6736 | NPC472107 |
Remote Similarity | 0.6733 | NPC472069 |
Remote Similarity | 0.6733 | NPC472063 |
Remote Similarity | 0.6733 | NPC472062 |
Remote Similarity | 0.6724 | NPC2949 |
Remote Similarity | 0.6724 | NPC115611 |
Remote Similarity | 0.6722 | NPC200214 |
Remote Similarity | 0.6721 | NPC81229 |
Remote Similarity | 0.6721 | NPC255229 |
Remote Similarity | 0.672 | NPC317430 |
Remote Similarity | 0.6717 | NPC19692 |
Remote Similarity | 0.6717 | NPC220151 |
Remote Similarity | 0.6704 | NPC473878 |
Remote Similarity | 0.6703 | NPC299594 |
Remote Similarity | 0.6703 | NPC76982 |
Remote Similarity | 0.6702 | NPC472123 |
Remote Similarity | 0.6701 | NPC311858 |
Remote Similarity | 0.6686 | NPC218268 |
Remote Similarity | 0.6686 | NPC277157 |
Remote Similarity | 0.6685 | NPC214106 |
Remote Similarity | 0.6685 | NPC478185 |
Remote Similarity | 0.6685 | NPC242116 |
Remote Similarity | 0.6684 | NPC91895 |
Remote Similarity | 0.6684 | NPC145885 |
Remote Similarity | 0.6684 | NPC329858 |
Remote Similarity | 0.6684 | NPC84827 |
Remote Similarity | 0.6684 | NPC65080 |
Remote Similarity | 0.6684 | NPC14113 |
Remote Similarity | 0.6684 | NPC314333 |
Remote Similarity | 0.6683 | NPC270918 |
Remote Similarity | 0.6683 | NPC472293 |
Remote Similarity | 0.6667 | NPC470731 |
Remote Similarity | 0.6667 | NPC2823 |
Remote Similarity | 0.6667 | NPC470677 |
Remote Similarity | 0.6667 | NPC104483 |
Remote Similarity | 0.6667 | NPC284338 |
Remote Similarity | 0.6667 | NPC471164 |
Remote Similarity | 0.6667 | NPC472323 |
Remote Similarity | 0.665 | NPC106757 |
Remote Similarity | 0.6649 | NPC6982 |
Remote Similarity | 0.6649 | NPC248462 |
Remote Similarity | 0.6636 | NPC312942 |
Remote Similarity | 0.6636 | NPC327095 |
Remote Similarity | 0.6634 | NPC312870 |
Remote Similarity | 0.6634 | NPC472065 |
Remote Similarity | 0.6634 | NPC128265 |
Remote Similarity | 0.6634 | NPC199851 |
Remote Similarity | 0.6634 | NPC294909 |
Remote Similarity | 0.6634 | NPC254240 |
Molecular Weight   | 312.20 |
ALogP   | -1.995 |
MLogP   | 2.89 |
XLogP   | 2.574 |
HDA   | 5 |
HBD   | 1 |
Rotatable Bonds   | 5 |
TPSA   | 50.16 |
RO5 Violation   | 0 |